2-Nitrobenzamide - CAS 610-15-1

Name: 2-Nitrobenzamide
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB030897
Product Name:	2-Nitrobenzamide
CAS:	610-15-1
Synonyms:	2-nitrobenzamide

Technical Data

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Computed Properties

IUPAC Name:	2-nitrobenzamide
Description:	2-Nitrobenzamide (CAS# 610-15-1) is a useful research chemical.
Molecular Weight:	166.13
Molecular Formula:	C7H6N2O3
Canonical SMILES:	C1=CC=C(C(=C1)C(=O)N)[N+](=O)[O-]
InChI:	InChI=1S/C7H6N2O3/c8-7(10)5-3-1-2-4-6(5)9(11)12/h1-4H,(H2,8,10)
InChI Key:	KLGQWSOYKYFBTR-UHFFFAOYSA-N
Boiling Point:	317 °C
Melting Point:	349.9 °F
Density:	1.385 g/cm³
Solubility:	less than 0.1 mg/mL at 64 °F
Appearance:	Water solubility - <0.1 mg/ml at 64°f.
MDL:	MFCD00007976
LogP:	1.91720
Vapor Pressure:	0.00000809 [mmHg]

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Related Functional Groups

Carbonyl Compounds

[87-88-7]C6H2Cl2O4
Chloranilic acid
[1383427-98-2]C7H13ClN2O2
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[35153-16-3]C16H30O2
(Z)-10-Tetradecenyl Acetate
[55441-25-3]C8H7N3O
1-(2-Cyanophenyl)urea
[956439-56-8]C6H5N3O6
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[253429-30-0]C12H16BrFO3
1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
US-2021189018-A1	Hyaluronic acid derivatives	20191220
WO-2021127375-A1	Hyaluronic acid derivatives	20191220
WO-2021127583-A1	Selective high affinity ligand diagnostics and therapeutics	20191220
WO-2021119249-A1	Cyclophilin d inhibitors and uses thereof	20191210
WO-2021102052-A1	Directed conjugation technologies	20191118

PMID	Publication Date	Title	Journal
22087063	20110101	Future prospects in the treatment of erectile dysfunction: focus on avanafil	Drug design, development and therapy
20545357	20100712	Efficient and convenient synthesis of pyrrolo[1,2-a]quinazoline derivatives with the aid of tin(II) chloride	Journal of combinatorial chemistry
21580722	20100324	2-Methyl-N-p-tolyl-benzamide: a second monoclinic polymorph	Acta crystallographica. Section E, Structure reports online
21578939	20091128	N-Cyclo-hexyl-3,4,5-trimethoxy-benzamide	Acta crystallographica. Section E, Structure reports online
19876393	20091001	High content screening identifies decaprenyl-phosphoribose 2' epimerase as a target for intracellular antimycobacterial inhibitors	PLoS pathogens

Complexity:	199
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	166.03784206
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	166.03784206
Rotatable Bond Count:	1
Topological Polar Surface Area:	88.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.1