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20428-76-6 | Acetic acid, 2-bromo-2,2-dichloro-, methyl ester
CAS No: 20428-76-6 Catalog No: AG0029DV MDL No:
Product Description
Catalog Number:
AG0029DV
Chemical Name:
Acetic acid, 2-bromo-2,2-dichloro-, methyl ester
CAS Number:
20428-76-6
Molecular Formula:
C3H3BrCl2O2
Molecular Weight:
221.8647
IUPAC Name:
methyl 2-bromo-2,2-dichloroacetate
InChI:
InChI=1S/C3H3BrCl2O2/c1-8-2(7)3(4,5)6/h1H3
InChI Key:
VCMGKXLUCUYXBM-UHFFFAOYSA-N
SMILES:
COC(=O)C(Br)(Cl)Cl
Properties
Complexity:
104
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.869g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
221.859g/mol
Monoisotopic Mass:
219.869g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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