2-Amino-5-bromo-3-fluorobenzoic Acid - CAS 874784-14-2

Catalog:	BB038480
Product Name:	2-Amino-5-bromo-3-fluorobenzoic Acid
CAS:	874784-14-2
Synonyms:	2-amino-5-bromo-3-fluorobenzoic acid; 2-amino-5-bromo-3-fluorobenzoic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-amino-5-bromo-3-fluorobenzoic acid
Description:	2-Amino-5-bromo-3-fluorobenzoic Acid (CAS# 874784-14-2) is a useful research chemical.
Molecular Weight:	234.02
Molecular Formula:	C7H5BrFNO2
Canonical SMILES:	C1=C(C=C(C(=C1F)N)C(=O)O)Br
InChI:	InChI=1S/C7H5BrFNO2/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2H,10H2,(H,11,12)
InChI Key:	CLJZODGTJUYULK-UHFFFAOYSA-N
MDL:	MFCD04035659
LogP:	2.44980

Publication Number	Title	Priority Date
WO-2021207554-A1	Compounds and methods for modulating splicing	20200408
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WO-2020232401-A1	Combination therapies with ire1 small molecule inhibitors	20190515

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[17746-05-3]
Undecanoyl chloride
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[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]
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:	190
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	232.94877
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	232.94877
Rotatable Bond Count:	1
Topological Polar Surface Area:	63.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1