2-Chlorobenzamide - CAS 609-66-5

Name: 2-Chlorobenzamide
Brand: BOC Sciences
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Catalog:	BB030871
Product Name:	2-Chlorobenzamide
CAS:	609-66-5
Synonyms:	2-chlorobenzamide

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Computed Properties

IUPAC Name:	2-chlorobenzamide
Description:	2-Chlorobenzamide (CAS# 609-66-5) is a useful research chemical.
Molecular Weight:	155.58
Molecular Formula:	C7H6ClNO
Canonical SMILES:	C1=CC=C(C(=C1)C(=O)N)Cl
InChI:	InChI=1S/C7H6ClNO/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H2,9,10)
InChI Key:	RBGDLYUEXLWQBZ-UHFFFAOYSA-N
Boiling Point:	275 °C
Density:	1.295 g/cm³
MDL:	MFCD00007973
LogP:	2.13920

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]C23H22N2O5
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[51493-02-8]C5H10ClNO
N-Methyl-N-propylcarbamoyl Chloride
[1427004-19-0]C34H39N3O10
DBCO-PEG4-NHS ester
[1383427-98-2]C7H13ClN2O2
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[1018141-88-2]C17H14N4O2
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[55441-25-3]C8H7N3O
1-(2-Cyanophenyl)urea

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P260, P264, P270, P271, P284, P301+P312, P304+P340, P310, P320, P330, P403+P233, P405, and P501
Signal Word:	Danger

Publication Number	Title	Priority Date
WO-2020114376-A1	Preparation method for chemical intermediate 2,2'-dithiocarbamides compound	20181205
WO-2020109526-A2	Oxyntomodulin peptide analog formulations	20181130
US-2020262887-A1	Oxyntomodulin peptide analog formulations	20181130
WO-2020061476-A1	Small molecules targeting mutant mammalian proteins	20180921
WO-2020061477-A1	Methods of treating creatine transporter deficiency	20180921

PMID	Publication Date	Title	Journal
22091073	20110801	N,N'-Bis(2-chloro-benz-yl)-N''-(2,2,2-trichloro-acet-yl)phospho-ric triamide	Acta crystallographica. Section E, Structure reports online
20392639	20100515	Discovery of 2-chloro-N-((4,4-difluoro-1-hydroxycyclohexyl)methyl)-5-(5-fluoropyrimidin-2-yl)benzamide as a potent and CNS penetrable P2X7 receptor antagonist	Bioorganic & medicinal chemistry letters
19486988	20090703	Determination of 2,6-dichlorobenzamide and its degradation products in water samples using solid-phase extraction followed by liquid chromatography-tandem mass spectrometry	Journal of chromatography. A
17240021	20070701	Microbial degradation pathways of the herbicide dichlobenil in soils with different history of dichlobenil-exposure	Environmental pollution (Barking, Essex : 1987)
15612750	20041229	Calculation of the peak concentration of 2-chlorobenzamide generated in the hydrolysis of the benzoylphenylurea insecticide 1-(2-chlorobenzoyl)-3-(4-chlorophenyl)urea	Journal of agricultural and food chemistry

Complexity:	138
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	155.0137915
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	155.0137915
Rotatable Bond Count:	1
Topological Polar Surface Area:	43.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.6