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5-Chloro-3-methylbenzofuran-2-carboxylic Acid

5-Chloro-3-methylbenzofuran-2-carboxylic Acid - CAS 1134-00-5

Catalog:	BB003165
Product Name:	5-Chloro-3-methylbenzofuran-2-carboxylic Acid
CAS:	1134-00-5
Synonyms:	5-chloro-3-methyl-2-benzofurancarboxylic acid; 5-chloro-3-methyl-1-benzofuran-2-carboxylic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	5-chloro-3-methyl-1-benzofuran-2-carboxylic acid
Description:	5-Chloro-3-methylbenzofuran-2-carboxylic Acid (CAS# 1134-00-5) is a useful research chemical.
Molecular Weight:	210.61
Molecular Formula:	C10H7ClO3
Canonical SMILES:	CC1=C(OC2=C1C=C(C=C2)Cl)C(=O)O
InChI:	InChI=1S/C10H7ClO3/c1-5-7-4-6(11)2-3-8(7)14-9(5)10(12)13/h2-4H,1H3,(H,12,13)
InChI Key:	QEYMIQBZTUQKAC-UHFFFAOYSA-N
Boiling Point:	362.8 °C at 760 mmHg
Density:	1.431 g/cm³
Storage:	Sealed in dry, 2-8 °C
LogP:	3.09280

Publication Number	Title	Priority Date
CN-113416216-A	High-activity Pt complex and preparation method and application thereof	20210823
US-2021221843-A1	Epha2 agonists and uses thereof	20180607
EP-3470415-A1	5-membered heterocycle fused with [3,4-d]pyridazinone, and manufacturing method, pharmaceutical composition, and application thereof	20160524
US-2019135818-A1	5-membered heterocycle fused with [3,4-d] pyridazinone, and manufacturing method, pharmaceutical composition, and application thereof	20160524
US-10093640-B2	Substituted benzofuran, benzothiophene and indole MCL-1 inhibitors	20120921

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[87-88-7]
Chloranilic acid
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[91552-11-3]
2-(3-Chlorophenyl)cyclopropanecarboxylic Acid

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

Complexity:	244
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	210.0083718
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	210.0083718
Rotatable Bond Count:	1
Topological Polar Surface Area:	50.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.2