AG00IDHS

849934-94-7 | Methyl 2-(4-bromo-2-chlorophenyl)acetate

AG00IDHS

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CAS Number	849934-94-7
Catalog Number	AG00IDHS(AGN-PC-0BXLKB)
Chemical Name	Methyl 2-(4-bromo-2-chlorophenyl)acetate
IUPAC Name	methyl 2-(4-bromo-2-chlorophenyl)acetate
InChI	InChI=1S/C9H8BrClO2/c1-13-9(12)4-6-2-3-7(10)5-8(6)11/h2-3,5H,4H2,1H3
InChI Key	GYQSFCYMWAJKMD-UHFFFAOYSA-N
MDL Number	MFCD18398725
Molecular Formula	C9H8BrClO2
Molecular Weight	263.5156
SMILES	O=C(OC)CC1=CC=C(Br)C=C1Cl
Synonyms	Methyl 2-(4-bromo-2-chlorophenyl)acetate, 849934-94-7, Methyl 4-bromo-2-chlorophenylacetate, SCHEMBL590168, GYQSFCYMWAJKMD-UHFFFAOYSA-N, ALBB-030437, MFCD18398725, ZINC87493244, AKOS022179954, methyl (4-bromo-2-chlorophenyl)acetate, AS-40511, AJ-128037, CS-0046928, X2839, J3.561.008A, 2-Chloro-4-bromobenzeneacetic acid methyl ester, 4-bromo-2-chlorophenylacetic acid methyl ester, (4-bromo-2-chloro-phenyl)-acetic acid methyl ester, Benzeneacetic acid, 4-bromo-2-chloro-, methyl ester, C9H8BrClO2,

Complexity	187
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	261.94g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	263.515g/mol
Monoisotopic Mass	261.94g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P264-P270-P301+P312-P330
Signal Words	warning
UN Code

Certificate of Analysis

Lot Number