Methyl 4-Amino-3-bromo-5-methylbenzoate - CAS 900019-52-5

Catalog:	BB039730
Product Name:	Methyl 4-Amino-3-bromo-5-methylbenzoate
CAS:	900019-52-5
Synonyms:	4-amino-3-bromo-5-methylbenzoic acid methyl ester; methyl 4-amino-3-bromo-5-methylbenzoate

Technical Data

Patents

Computed Properties

IUPAC Name:	methyl 4-amino-3-bromo-5-methylbenzoate
Description:	Methyl 4-Amino-3-bromo-5-methylbenzoate (CAS# 900019-52-5) is a useful research chemical.
Molecular Weight:	244.09
Molecular Formula:	C9H10BrNO2
Canonical SMILES:	CC1=C(C(=CC(=C1)C(=O)OC)Br)N
InChI:	InChI=1S/C9H10BrNO2/c1-5-3-6(9(12)13-2)4-7(10)8(5)11/h3-4H,11H2,1-2H3
InChI Key:	WJMQXQGSWCVNHQ-UHFFFAOYSA-N
Appearance:	Pale pink solid
LogP:	2.70750

Publication Number	Title	Priority Date
WO-2021202977-A1	Pyrrolopyrimidine amines as complement inhibitors	20200403
CN-111777526-A	N-benzoylaniline derivatives, preparation method and application thereof	20190404
EA-034084-B1	Pan-Genomic Protein Inhibitors of NS5A Hepatitis C Virus, Pharmaceutical Compositions, Intermediate Products for the Synthesis of Inhibitors and Methods for Their Production and Use	20150904
EP-3344617-A1	Pan-genomic inhibitors of ns5a protein encoded by hcv, pharmaceutical compositions, intermediates for inhibitor synthesis, and their synthesis and application methods.	20150904
RU-2669919-C1	Pan-genomic inhibitors of the hepatitis c virus protein ns5a, pharmaceutical compositions, intermediates for the synthesis of inhibitors, and methods for their preparation and use	20150904

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Complexity:	198
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	242.98949
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	242.98949
Rotatable Bond Count:	2
Topological Polar Surface Area:	52.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1