2-Amino-5-bromo-3-methylbenzoic Acid - CAS 206548-13-2

Catalog:	BB016132
Product Name:	2-Amino-5-bromo-3-methylbenzoic Acid
CAS:	206548-13-2
Synonyms:	2-amino-5-bromo-3-methylbenzoic acid; 2-amino-5-bromo-3-methylbenzoic acid

Technical Data

Patents

Computed Properties

IUPAC Name:	2-amino-5-bromo-3-methylbenzoic acid
Description:	2-Amino-5-bromo-3-methylbenzoic Acid (CAS# 206548-13-2) is a useful research chemical.
Molecular Weight:	230.06
Molecular Formula:	C8H8BrNO2
Canonical SMILES:	CC1=C(C(=CC(=C1)Br)C(=O)O)N
InChI:	InChI=1S/C8H8BrNO2/c1-4-2-5(9)3-6(7(4)10)8(11)12/h2-3H,10H2,1H3,(H,11,12)
InChI Key:	RWLPKYJTGUCBQH-UHFFFAOYSA-N
Boiling Point:	347.859 °C at 760 mmHg
Density:	1.683 g/cm³
MDL:	MFCD05664860
LogP:	2.61910

Publication Number	Title	Priority Date
WO-2020225330-A1	Dhodh inhibitors and their use as antiviral agents	20190507
WO-2020200153-A1	Glucoside derivative that acts as sglt1 inhibitor and application thereof	20190329
WO-2020021064-A1	Substituted quinazolinone derivatives and their use as positive allosteric modulators of mglur4	20180726
AU-2019309448-A1	Substituted quinazolinone derivatives and their use as positive allosteric modulators of mGluR4	20180726
CA-3102326-A1	Substituted quinazolinone derivatives and their use as positive allosteric modulators of mglur4	20180726

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Complexity:	186
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	228.97384
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	228.97384
Rotatable Bond Count:	1
Topological Polar Surface Area:	63.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4