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13023-00-2 | Butanoic acid, 2,2-dichloro-
CAS No: 13023-00-2 Catalog No: AG000U65 MDL No:
Product Description
Catalog Number:
AG000U65
Chemical Name:
Butanoic acid, 2,2-dichloro-
CAS Number:
13023-00-2
Molecular Formula:
C4H6Cl2O2
Molecular Weight:
156.9952
IUPAC Name:
2,2-dichlorobutanoic acid
InChI:
InChI=1S/C4H6Cl2O2/c1-2-4(5,6)3(7)8/h2H2,1H3,(H,7,8)
InChI Key:
OBLYWUBMZGHQDN-UHFFFAOYSA-N
SMILES:
CCC(C(=O)O)(Cl)Cl
Properties
Complexity:
100
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
155.974g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
156.99g/mol
Monoisotopic Mass:
155.974g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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