3-Fluoro-5-(methoxycarbonyl)benzoic Acid - CAS 660416-36-4

Name: 3-Fluoro-5-(methoxycarbonyl)benzoic Acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB032889
Product Name:	3-Fluoro-5-(methoxycarbonyl)benzoic Acid
CAS:	660416-36-4
Synonyms:	3-fluoro-5-methoxycarbonylbenzoic acid; 3-fluoro-5-methoxycarbonylbenzoic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	3-fluoro-5-methoxycarbonylbenzoic acid
Description:	3-Fluoro-5-(methoxycarbonyl)benzoic Acid (CAS# 660416-36-4) is a useful research chemical.
Molecular Weight:	198.15
Molecular Formula:	C9H7FO4
Canonical SMILES:	COC(=O)C1=CC(=CC(=C1)C(=O)O)F
InChI:	InChI=1S/C9H7FO4/c1-14-9(13)6-2-5(8(11)12)3-7(10)4-6/h2-4H,1H3,(H,11,12)
InChI Key:	SFUQWJIUIYAPDJ-UHFFFAOYSA-N
LogP:	1.31050

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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
[87-88-7]C6H2Cl2O4
Chloranilic acid
[35153-16-3]C16H30O2
(Z)-10-Tetradecenyl Acetate
[832741-29-4]C9H11BrOS
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[1018125-51-3]C12H12F3N3O2
2-(6-Ethyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
WO-2009033494-A1	1- or 2-substituted artemisinin derivatives for increasing the in vivo biological activity of biologically active compounds	20070910
WO-2009034029-A2	1-substituted 4-heterocyclylpiperidines for use as cgrp antagonists	20070907
AU-2005270208-A1	Additional heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists	20040218
CA-2555566-A1	Additional heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists	20040218
CN-101096368-A	Additional heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists	20040218

Complexity:	241
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	198.03283686
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	198.03283686
Rotatable Bond Count:	3
Topological Polar Surface Area:	63.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9