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2648-56-8 | 2-Butanone, 1,1-dichloro-
CAS No: 2648-56-8 Catalog No: AG002TEJ MDL No:
Product Description
Catalog Number:
AG002TEJ
Chemical Name:
2-Butanone, 1,1-dichloro-
CAS Number:
2648-56-8
Molecular Formula:
C4H6Cl2O
Molecular Weight:
140.9958
IUPAC Name:
1,1-dichlorobutan-2-one
InChI:
InChI=1S/C4H6Cl2O/c1-2-3(7)4(5)6/h4H,2H2,1H3
InChI Key:
SNWBFNJXVNSVKM-UHFFFAOYSA-N
SMILES:
CCC(=O)C(Cl)Cl
Properties
Complexity:
70.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
139.98g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
140.991g/mol
Monoisotopic Mass:
139.98g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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