Methyl 5-Amino-2-bromo-4-methylbenzoate - CAS 474330-54-6

Catalog:	BB026282
Product Name:	Methyl 5-Amino-2-bromo-4-methylbenzoate
CAS:	474330-54-6
Synonyms:	5-amino-2-bromo-4-methylbenzoic acid methyl ester; methyl 5-amino-2-bromo-4-methylbenzoate

Technical Data

Patents

Computed Properties

IUPAC Name:	methyl 5-amino-2-bromo-4-methylbenzoate
Description:	Methyl 5-Amino-2-bromo-4-methylbenzoate (CAS# 474330-54-6 ) is a useful research chemical.
Molecular Weight:	244.09
Molecular Formula:	C9H10BrNO2
Canonical SMILES:	CC1=C(C=C(C(=C1)Br)C(=O)OC)N
InChI:	InChI=1S/C9H10BrNO2/c1-5-3-7(10)6(4-8(5)11)9(12)13-2/h3-4H,11H2,1-2H3
InChI Key:	YZLNWLHJRDAYTM-UHFFFAOYSA-N
LogP:	2.70750

Publication Number	Title	Priority Date
WO-2021127190-A1	Irak degraders and uses thereof	20191217
CN-111107848-A	Pharmaceutical composition containing amide derivatives, and preparation method and application thereof	20180810
WO-2020030107-A1	Pharmaceutical composition containing amide derivatives, preparation method therefor, and application thereof	20180810
TW-202012412-A	Medical composition containing amide derivatives, preparation method and application thereof	20180810
CN-110655503-A	Substituted triazole compound, pharmaceutical composition containing same, preparation method and application thereof	20180629

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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