AG00HCXK

1149388-19-1 | 4-Bromo-3-hydroxy-2-methylbenzoic acid methyl ester

AG00HCXK

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CAS Number	1149388-19-1
Catalog Number	AG00HCXK(AGN-PC-0WAA3M)
Chemical Name	4-Bromo-3-hydroxy-2-methylbenzoic acid methyl ester
IUPAC Name	methyl 4-bromo-3-hydroxy-2-methylbenzoate
InChI	InChI=1S/C9H9BrO3/c1-5-6(9(12)13-2)3-4-7(10)8(5)11/h3-4,11H,1-2H3
InChI Key	KJQPVKLURCKVPY-UHFFFAOYSA-N
MDL Number	MFCD26389396
Molecular Formula	C9H9BrO3
Molecular Weight	245.0700
SMILES	BrC1=C(C(=C(C(=O)OC)C=C1)C)O
Synonyms	methyl 4-bromo-3-hydroxy-2-methylbenzoate, 1149388-19-1, SCHEMBL979279, KS-00000LDR, KJQPVKLURCKVPY-UHFFFAOYSA-N, MFCD26389396, AKOS024255712, ZINC114959454, FK-0710, AK340066,

Complexity	195
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	243.974g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	245.072g/mol
Monoisotopic Mass	243.974g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	46.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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