AG006WWM

22717-56-2 | Methyl 4-bromo-2-hydroxybenzoate

AG006WWM

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CAS Number	22717-56-2
Catalog Number	AG006WWM(AGN-PC-000106)
Chemical Name	Methyl 4-bromo-2-hydroxybenzoate
EC Number	607-144-9
IUPAC Name	methyl 4-bromo-2-hydroxybenzoate
InChI	InChI=1S/C8H7BrO3/c1-12-8(11)6-3-2-5(9)4-7(6)10/h2-4,10H,1H3
InChI Key	JEMVEVUWSJXZMX-UHFFFAOYSA-N
MDL Number	MFCD07780736
Molecular Formula	C8H7BrO3
Molecular Weight	231.0434
SMILES	C(=O)(OC)c1c(O)cc(cc1)Br
Synonyms	methyl 4-bromo-2-hydroxybenzoate, 22717-56-2, methyl 4-bromo-2-hydroxybenzenecarboxylate, methyl 4-bromosalicylate, 4-BROMO-2-HYDROXYBENZOIC ACID METHYL ESTER, Benzoic acid, 4-bromo-2-hydroxy-, methyl ester, ACMC-209fy8, KSC495E9F, SCHEMBL1378325, CTK3J5292, KS-00000ITA, DTXSID80553807, JEMVEVUWSJXZMX-UHFFFAOYSA-N, ANW-24942, CL8561, MFCD07780736, SBB097689, ZINC28278706, AKOS005072188, ACN-040288, AS03632, CS-W004803, DA-0608, MCULE-6367535512, RP13276, RTR-010659, AJ-83439, AK-88441, SC-98774, SY029993, AB0023562, TR-010659, 4-bromo-2-hydroxy-benzoic acid methyl ester, 4CH-009557, FT-0681331, ST24031091, W4640, MFCD07780736 (95%), B-8013, I01-10925, Z902536168, C8H7BrO3, Methyl4-bromo-2-hydroxybenzoate,

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

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302-H315-H319-H332-H335
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338-P310
Signal Words	warning
UN Code	UN 2811

Certificate of Analysis

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