Methyl 2-Amino-5-bromo-3-methylbenzoate - CAS 206548-14-3

Catalog:	BB016133
Product Name:	Methyl 2-Amino-5-bromo-3-methylbenzoate
CAS:	206548-14-3
Synonyms:	2-amino-5-bromo-3-methylbenzoic acid methyl ester; methyl 2-amino-5-bromo-3-methylbenzoate

Technical Data

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Computed Properties

IUPAC Name:	methyl 2-amino-5-bromo-3-methylbenzoate
Description:	Methyl 2-Amino-5-bromo-3-methylbenzoate (CAS# 206548-14-3) is a useful research chemical.
Molecular Weight:	244.09
Molecular Formula:	C9H10BrNO2
Canonical SMILES:	CC1=C(C(=CC(=C1)Br)C(=O)OC)N
InChI:	InChI=1S/C9H10BrNO2/c1-5-3-6(10)4-7(8(5)11)9(12)13-2/h3-4H,11H2,1-2H3
InChI Key:	NVJKMGDNYCDLGR-UHFFFAOYSA-N
MDL:	MFCD06797379
LogP:	2.70750

Publication Number	Title	Priority Date
AU-2018227849-A1	Aryl, heteroary, and heterocyclic pharmaceutical compounds for treatment of medical disorders	20170301
CN-110603252-A	Aryl, heteroaryl and heterocyclic pharmaceutical compounds for the treatment of medical disorders	20170301
EP-3589628-A1	Aryl, heteroary, and heterocyclic pharmaceutical compounds for treatment of medical disorders	20170301
JP-2020514331-A	Aryl, heteroaryl and heterocyclic pharmaceutical compounds for the treatment of medical disorders	20170301
KR-20190126831-A	Aryl, heteroaryl, and heterocyclic pharmaceutical compounds for the treatment of medical disorders	20170301

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GHS Hazard Statement:	H302+H312+H332 (100%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
Precautionary Statement:	P261, P264, P270, P271, P272, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P321, P322, P330, P333+P313, P363, and P501
Signal Word:	Warning

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 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.7