AG0024TX

17667-32-2 | Benzoic acid, 2-bromo-4,5-dimethoxy-, methyl ester

AG0024TX

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CAS Number	17667-32-2
Catalog Number	AG0024TX(AGN-PC-0KLMPM)
Chemical Name	Benzoic acid, 2-bromo-4,5-dimethoxy-, methyl ester
IUPAC Name	methyl 2-bromo-4,5-dimethoxybenzoate
InChI	InChI=1S/C10H11BrO4/c1-13-8-4-6(10(12)15-3)7(11)5-9(8)14-2/h4-5H,1-3H3
InChI Key	BCUHOZBMHZWCGL-UHFFFAOYSA-N
MDL Number	MFCD00017182
Molecular Formula	C10H11BrO4
Molecular Weight	275.0959
SMILES	O=C(OC)C1=CC(OC)=C(OC)C=C1Br
Synonyms	methyl 2-bromo-4,5-dimethoxybenzoate, 17667-32-2, 2-bromo-4,5-dimethoxybenzoic acid methyl ester, methyl-2-bromo-4,5-dimethoxybenzoate, AC1MDVDJ, methyl 6-bromoveratrate, ACMC-209ebt, SCHEMBL12497066, CTK4D6276, DTXSID50384701, BCUHOZBMHZWCGL-UHFFFAOYSA-N, ZINC161472, ANW-22839, MFCD00017182, AKOS015834884, FS-5011, AJ-15747, CJ-01970, TR-035940, V3833, B-3405, Methyl 2-bromo-4,5-dimethoxybenzoate, AldrichCPR, Benzoic acid, 2-bromo-4,5-dimethoxy-, methyl ester, I01-10711, C10H11BrO4, ZINC00161472, CID2817399,

Complexity	222
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	273.984g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	275.098g/mol
Monoisotopic Mass	273.984g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	44.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319
Packing Group
Precautionary statements	P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362
UN Code

Certificate of Analysis

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