2-Amino-4-bromobenzoic Acid - CAS 20776-50-5

Catalog:	BB016277
Product Name:	2-Amino-4-bromobenzoic Acid
CAS:	20776-50-5
Synonyms:	2-amino-4-bromobenzoic acid; 2-amino-4-bromobenzoic acid

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Computed Properties

IUPAC Name:	2-amino-4-bromobenzoic acid
Description:	2-Amino-4-bromobenzoic Acid (CAS# 20776-50-5) is a useful research chemical.
Molecular Weight:	216.03
Molecular Formula:	C7H6BrNO2
Canonical SMILES:	C1=CC(=C(C=C1Br)N)C(=O)O
InChI:	InChI=1S/C7H6BrNO2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,9H2,(H,10,11)
InChI Key:	BNNICQAVXPXQAH-UHFFFAOYSA-N
Boiling Point:	352.4 °C at 760 mmHg
Density:	1.793 g/cm³
MDL:	MFCD03618454
LogP:	2.31070

Publication Number	Title	Priority Date
CN-113461661-A	6- (pyridine-3-yl) quinazoline-4 (3H) -ketone derivative and preparation and application thereof	20210712
CN-112047933-A	Quinazolinone USP7 inhibitor and preparation method and application thereof	20201015
CN-111978190-A	Temperature-sensitive fluorescent sensing material and application thereof	20200824
CN-111995537-A	Pressure-sensitive fluorescent sensing material with aggregation-induced emission performance	20200824
CN-111499513-A	Synthetic method of 2,3,4, 5-tetrabromobenzoate	20200424

PMID	Publication Date	Title	Journal
21919524	20111021	Palladium-catalyzed mono-N-allylation of unprotected anthranilic acids with allylic alcohols in aqueous media	The Journal of organic chemistry

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GHS Hazard Statement:	H301 (95.35%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P310, P321, P330, P405, and P501
Signal Word:	Danger

Complexity:	163
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	214.95819
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	214.95819
Rotatable Bond Count:	1
Topological Polar Surface Area:	63.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.8