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115871-49-3 | Benzeneacetic acid, 2-bromo-4-chloro-, methyl ester
CAS No: 115871-49-3 Catalog No: AG000H0G MDL No:MFCD06658159
Product Description
Catalog Number:
AG000H0G
Chemical Name:
Benzeneacetic acid, 2-bromo-4-chloro-, methyl ester
CAS Number:
115871-49-3
Molecular Formula:
C9H8BrClO2
Molecular Weight:
263.5156
MDL Number:
MFCD06658159
IUPAC Name:
methyl 2-(2-bromo-4-chlorophenyl)acetate
InChI:
InChI=1S/C9H8BrClO2/c1-13-9(12)4-6-2-3-7(11)5-8(6)10/h2-3,5H,4H2,1H3
InChI Key:
LRGRTSYKKXHITJ-UHFFFAOYSA-N
SMILES:
COC(=O)Cc1ccc(cc1Br)Cl
EC Number:
601-391-6
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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