2-Bromo-4-methoxybenzoic Acid - CAS 74317-85-4

Catalog:	BB035058
Product Name:	2-Bromo-4-methoxybenzoic Acid
CAS:	74317-85-4
Synonyms:	2-bromo-4-methoxybenzoic acid; 2-bromo-4-methoxybenzoic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-bromo-4-methoxybenzoic acid
Description:	2-Bromo-4-methoxybenzoic Acid (CAS# 74317-85-4) is a useful research chemical.
Molecular Weight:	231.04
Molecular Formula:	C8H7BrO3
Canonical SMILES:	COC1=CC(=C(C=C1)C(=O)O)Br
InChI:	InChI=1S/C8H7BrO3/c1-12-5-2-3-6(8(10)11)7(9)4-5/h2-4H,1H3,(H,10,11)
InChI Key:	SEJVMKLJNIKFAF-UHFFFAOYSA-N
Boiling Point:	313.6 °C at 760 mmHg
Density:	1.625 g/cm³
LogP:	2.15590

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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
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic 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

Complexity:	172
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	229.95786
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	229.95786
Rotatable Bond Count:	2
Topological Polar Surface Area:	46.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.5