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Home > Bromides > 1021089-12-2
1021089-12-2 | Benzeneacetic acid, 2-bromo-3-chloro-, methyl ester
CAS No: 1021089-12-2 Catalog No: AG0006MP MDL No:MFCD07368616
Product Description
Catalog Number:
AG0006MP
Chemical Name:
Benzeneacetic acid, 2-bromo-3-chloro-, methyl ester
CAS Number:
1021089-12-2
Molecular Formula:
C9H8BrClO2
Molecular Weight:
263.5156
MDL Number:
MFCD07368616
IUPAC Name:
methyl 2-(2-bromo-3-chlorophenyl)acetate
InChI:
InChI=1S/C9H8BrClO2/c1-13-8(12)5-6-3-2-4-7(11)9(6)10/h2-4H,5H2,1H3
InChI Key:
RLMYEDFMDPQDTH-UHFFFAOYSA-N
SMILES:
COC(=O)Cc1cccc(c1Br)Cl
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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