AG002953

203805-73-6 | Benzeneacetic acid, 4-bromo-3-methoxy-, methyl ester

AG002953

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CAS Number	203805-73-6
Catalog Number	AG002953(AGN-PC-0O7C8Q)
Chemical Name	Benzeneacetic acid, 4-bromo-3-methoxy-, methyl ester
IUPAC Name	methyl 2-(4-bromo-3-methoxyphenyl)acetate
InChI	InChI=1S/C10H11BrO3/c1-13-9-5-7(3-4-8(9)11)6-10(12)14-2/h3-5H,6H2,1-2H3
InChI Key	DAZRTRFZLABWKE-UHFFFAOYSA-N
MDL Number	MFCD18398827
Molecular Formula	C10H11BrO3
Molecular Weight	259.0965
SMILES	O=C(OC)CC1=CC=C(Br)C(OC)=C1
Synonyms	Methyl 2-(4-bromo-3-methoxyphenyl)acetate, 203805-73-6, MFCD18398827, ZINC96034621, AKOS024262709, MCULE-9174380646, NE34156, Methyl2-(4-bromo-3-methoxyphenyl)acetate, AJ-138313, ST2407114, 3-Methoxy-4-bromobenzeneacetic acid methyl ester, Benzeneacetic acid, 4-bromo-3-methoxy-, methyl ester, Z1824497722,

Complexity	196
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	257.989g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	259.099g/mol
Monoisotopic Mass	257.989g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	35.5A^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
Packing Group
Precautionary statements	P264-P270-P301+P312-P330
UN Code

Certificate of Analysis

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