AG00ABSR

154607-00-8 | 2-broMo-5-hydroxybenzoic acid Methyl ester

AG00ABSR

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CAS Number	154607-00-8
Catalog Number	AG00ABSR(AGN-PC-022T59)
Chemical Name	2-broMo-5-hydroxybenzoic acid Methyl ester
IUPAC Name	methyl 2-bromo-5-hydroxybenzoate
InChI	InChI=1S/C8H7BrO3/c1-12-8(11)6-4-5(10)2-3-7(6)9/h2-4,10H,1H3
InChI Key	AIWIFVOBRBJANE-UHFFFAOYSA-N
MDL Number	MFCD10566797
Molecular Formula	C8H7BrO3
Molecular Weight	231.0434
SMILES	O=C(OC)C1=CC(O)=CC=C1Br
Synonyms	methyl 2-bromo-5-hydroxybenzoate, 154607-00-8, 2-Bromo-5-hydroxybenzoic acid methyl ester, SCHEMBL177377, KS-00003QIS, methyl-2-bromo-5-hydroxybenzoate, AIWIFVOBRBJANE-UHFFFAOYSA-N, CS-B1202, MFCD10566797, ZINC88190259, AKOS022170646, FCH1400540, MS-9828, DA-09885, OR400090, Benzoicacid,2-bromo-5-hydroxy-,methylester, Methyl-2-bromo-5-hydroxybenzene carboxylate, 2-Bromo-5-hydroxy-benzoic acid methyl ester, FT-0719521,

Complexity	172
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	229.958g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	231.045g/mol
Monoisotopic Mass	229.958g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	46.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

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