AG002MLA

232277-30-4 | Benzoic acid, 3-bromo-2,6-dichloro-, methyl ester

AG002MLA

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CAS Number	232277-30-4
Catalog Number	AG002MLA(AGN-PC-0WQY4K)
Chemical Name	Benzoic acid, 3-bromo-2,6-dichloro-, methyl ester
IUPAC Name	methyl 3-bromo-2,6-dichlorobenzoate
InChI	InChI=1S/C8H5BrCl2O2/c1-13-8(12)6-5(10)3-2-4(9)7(6)11/h2-3H,1H3
InChI Key	AJLUIZCRLOMULY-UHFFFAOYSA-N
MDL Number	MFCD22572502
Molecular Formula	C8H5BrCl2O2
Molecular Weight	283.9341
SMILES	O=C(OC)C1=C(Cl)C=CC(Br)=C1Cl
Synonyms	methyl 3-bromo-2,6-dichlorobenzoate, 232277-30-4, Methyl-3-Bromo-2,6-dichloro benzoate, C19H21BrCl2N2O5, SCHEMBL5784489, MFCD22572502, ZINC94568733, AKOS020008335, AS-46426, X5467, Benzoic acid, 3-bromo-2,6-dichloro-, methyl ester,

Complexity	201
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	281.885g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	283.93g/mol
Monoisotopic Mass	281.885g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H302
Packing Group	\N
Precautionary statements	P264-P270-P301+P312-P330
UN Code	\N

Certificate of Analysis

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