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137420-52-1 | Benzeneacetic acid, α-bromo-3-chloro-, methyl ester
CAS No: 137420-52-1 Catalog No: AG00139A MDL No:MFCD16036309
Product Description
Catalog Number:
AG00139A
Chemical Name:
Benzeneacetic acid, α-bromo-3-chloro-, methyl ester
CAS Number:
137420-52-1
Molecular Formula:
C9H8BrClO2
Molecular Weight:
263.5156
MDL Number:
MFCD16036309
IUPAC Name:
methyl 2-bromo-2-(3-chlorophenyl)acetate
InChI:
InChI=1S/C9H8BrClO2/c1-13-9(12)8(10)6-3-2-4-7(11)5-6/h2-5,8H,1H3
InChI Key:
KJOCXNLVYWTJLL-UHFFFAOYSA-N
SMILES:
COC(=O)C(c1cccc(c1)Cl)Br
Properties
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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