AG003717

57381-62-1 | methyl 2-bromo-4-chlorobenzoate

AG003717

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CAS Number	57381-62-1
Catalog Number	AG003717(AGN-PC-003SGX)
Chemical Name	methyl 2-bromo-4-chlorobenzoate
IUPAC Name	methyl 2-bromo-4-chlorobenzoate
InChI	InChI=1S/C8H6BrClO2/c1-12-8(11)6-3-2-5(10)4-7(6)9/h2-4H,1H3
InChI Key	BIFARHLBYAKSSN-UHFFFAOYSA-N
MDL Number	MFCD10566822
Molecular Formula	C8H6BrClO2
Molecular Weight	249.4890
SMILES	BrC1=C(C(=O)OC)C=CC(=C1)Cl
Synonyms	Methyl 2-bromo-4-chlorobenzoate, 57381-62-1, Methyl2-Bromo-4-chlorobenzoate, Benzoic acid, 2-bromo-4-chloro-, methyl ester, 2-bromo-4-chloro-benzoic acid methyl ester, SCHEMBL610371, CTK1F2187, DTXSID50568367, BIFARHLBYAKSSN-UHFFFAOYSA-N, KS-00000BS6, ANW-44226, MFCD10566822, ZINC34469285, AKOS015999574, CM12459, CS-W018703, GS-3675, AJ-88750, AK-64354, CJ-18387, SC-90415, SY024877, 2-Bromo-4-chlorobenzoic acid methyl ester, AB0043812, ST2413287, TC-132971, 4CH-010375, Z1766, MFCD10566822 (97%), M-9274, C8H6BrClO2, Methyl 2-bormo-4-chlorobenzoate, ACN-054166,

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	4.1

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number