AG008S3D

117738-74-6 | METHYL-4-BROMO-3-CHLOROBENZOATE

AG008S3D

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CAS Number	117738-74-6
Catalog Number	AG008S3D(AGN-PC-0NLG0C)
Chemical Name	METHYL-4-BROMO-3-CHLOROBENZOATE
IUPAC Name	methyl 4-bromo-3-chlorobenzoate
InChI	InChI=1S/C8H6BrClO2/c1-12-8(11)5-2-3-6(9)7(10)4-5/h2-4H,1H3
InChI Key	BPJMNAWSHVKGHE-UHFFFAOYSA-N
MDL Number	MFCD11045619
Molecular Formula	C8H6BrClO2
Molecular Weight	249.4890
SMILES	O=C(OC)C1=CC=C(Br)C(Cl)=C1
Synonyms	methyl 4-bromo-3-chlorobenzoate, 117738-74-6, SCHEMBL1460210, DTXSID70625229, BPJMNAWSHVKGHE-UHFFFAOYSA-N, BBL022995, MFCD11045619, STL289210, ZINC57351516, AKOS015909966, MCULE-7001976951, METHYL-4-BROMO-3-CHLOROBENZOATE, SC-45496, 4-Bromo-3-chlorobenzoic Acid Methyl Ester, 4-Bromo-3-chloro-benzoic acid methyl ester, AB0212253, AJ-112882, CS-0036923, FT-0767860, H2407, M2829, I14-32047, 1-(4-Bromo-3-chlorophenyl)ethanone,

Complexity	174
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	247.924g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	249.488g/mol
Monoisotopic Mass	247.924g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number