AG00C6GG

36256-45-8 | Benzoic acid, 5-(2-broMoacetyl)-2-hydroxy-, Methyl ester

AG00C6GG

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CAS Number	36256-45-8
Catalog Number	AG00C6GG(AGN-PC-00CFOZ)
Chemical Name	Benzoic acid, 5-(2-broMoacetyl)-2-hydroxy-, Methyl ester
IUPAC Name	methyl 5-(2-bromoacetyl)-2-hydroxybenzoate
InChI	InChI=1S/C10H9BrO4/c1-15-10(14)7-4-6(9(13)5-11)2-3-8(7)12/h2-4,12H,5H2,1H3
InChI Key	YRPHNSODVHXAOP-UHFFFAOYSA-N
MDL Number	MFCD09833483
Molecular Formula	C10H9BrO4
Molecular Weight	273.0801
SMILES	COC(=O)C1=C(O)C=CC(=C1)C(=O)CBr
Synonyms	Methyl 5-(2-bromoacetyl)-2-hydroxybenzoate, 36256-45-8, Benzoic acid, 5-(2-bromoacetyl)-2-hydroxy-, methyl ester, AK-95329, Benzoic acid, 5-(bromoacetyl)-2-hydroxy-, methyl ester, methyl 5-bromoacetylsalicylate, SCHEMBL6029423, CTK8C0967, DTXSID70469286, YRPHNSODVHXAOP-UHFFFAOYSA-N, CS-M1162, 4590AB, ANW-65565, MFCD09833483, RW4086, ZINC91688858, AKOS016005472, 3-CarboMethoxy-4-hydroxy-|A-broMoacet, AJ-80395, AS-10264, methyl 5-(bromoacetyl)-2-hydroxybenzoate, AX8236562, TC-154310, 4CH-024138, ST24047952, C10H9BrO4, CID11601501, Methyl 5-(2-bromoacetyl)-2-hydroxy-benzoate,

Complexity	254
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	271.968g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	273.082g/mol
Monoisotopic Mass	271.968g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	63.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P280-P305+P351+P338-P310
Signal Words	warning
UN Code

Certificate of Analysis

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