2-Amino-4-bromo-5-chlorobenzoic Acid - CAS 150812-32-1

Catalog:	BB010577
Product Name:	2-Amino-4-bromo-5-chlorobenzoic Acid
CAS:	150812-32-1
Synonyms:	2-amino-4-bromo-5-chlorobenzoic acid; 2-amino-4-bromo-5-chlorobenzoic acid

Technical Data

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Computed Properties

IUPAC Name:	2-amino-4-bromo-5-chlorobenzoic acid
Description:	2-Amino-4-bromo-5-chlorobenzoic Acid (CAS# 150812-32-1) is a useful research chemical.
Molecular Weight:	250.48
Molecular Formula:	C7H5BrClNO2
Canonical SMILES:	C1=C(C(=CC(=C1Cl)Br)N)C(=O)O
InChI:	InChI=1S/C7H5BrClNO2/c8-4-2-6(10)3(7(11)12)1-5(4)9/h1-2H,10H2,(H,11,12)
InChI Key:	QLUCPCIKLHKGRW-UHFFFAOYSA-N
Boiling Point:	385.726 °C at 760 mmHg
Density:	1.892 g/cm³
MDL:	MFCD10000554
LogP:	2.96410

Publication Number	Title	Priority Date
CN-112409272-A	Preparation method and application of 6-chloro-7-bromo-4 (3H) -quinazolinone	20201126
US-2021269434-A1	Tricyclic compounds as inhibitors of kras	20200110
WO-2021127404-A1	Tricyclic pyridones and pyrimidones	20191220
CN-110759831-A	Method for preparing halofuginone intermediate 2-amino-4-bromo-5-chlorobenzoic acid	20191016
CN-112142746-A	Benzodiazepine compound, preparation method and medical application thereof	20190628

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GHS Hazard Statement:	H318: Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement:	P273, P280, P305+P351+P338, P310, and P501
Signal Word:	Danger

Complexity:	190
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	248.91922
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	248.91922
Rotatable Bond Count:	1
Topological Polar Surface Area:	63.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.6