3-Chloro-4-(methoxycarbonyl)benzoic Acid - CAS 55737-77-4

Catalog:	BB029155
Product Name:	3-Chloro-4-(methoxycarbonyl)benzoic Acid
CAS:	55737-77-4
Synonyms:	3-chloro-4-methoxycarbonylbenzoic acid; 3-chloro-4-methoxycarbonylbenzoic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	3-chloro-4-methoxycarbonylbenzoic acid
Description:	3-Chloro-4-(methoxycarbonyl)benzoic Acid (CAS# 55737-77-4) is a useful research chemical.
Molecular Weight:	214.60
Molecular Formula:	C9H7ClO4
Canonical SMILES:	COC(=O)C1=C(C=C(C=C1)C(=O)O)Cl
InChI:	InChI=1S/C9H7ClO4/c1-14-9(13)6-3-2-5(8(11)12)4-7(6)10/h2-4H,1H3,(H,11,12)
InChI Key:	IHWMWEIAAARWJH-UHFFFAOYSA-N
Appearance:	Solid
MDL:	MFCD00100478
LogP:	1.82480

Publication Number	Title	Priority Date
WO-2020156241-A1	Aromatic ring or heteroaromatic ring compounds, preparation method therefor and medical use thereof	20190131
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WO-2020011146-A1	1,2,4-oxadiazole compounds, preparation method therefor and medicinal use thereof	20180711
CN-111868056-A	1,2, 4-oxadiazole compound and preparation method and medical application thereof	20180711

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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
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[70912-52-6]
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
[1431966-64-1]
1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	241
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	214.0032864
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	214.0032864
Rotatable Bond Count:	3
Topological Polar Surface Area:	63.6
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3