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102502-67-0 | 4-Octanone, 1,2-dichloro-
CAS No: 102502-67-0 Catalog No: AG0007L7 MDL No:
Product Description
Catalog Number:
AG0007L7
Chemical Name:
4-Octanone, 1,2-dichloro-
CAS Number:
102502-67-0
Molecular Formula:
C8H14Cl2O
Molecular Weight:
197.1022
IUPAC Name:
1,2-dichlorooctan-4-one
InChI:
InChI=1S/C8H14Cl2O/c1-2-3-4-8(11)5-7(10)6-9/h7H,2-6H2,1H3
InChI Key:
LYEXRDCFFXNMIU-UHFFFAOYSA-N
SMILES:
CCCCC(=O)CC(CCl)Cl
Properties
Complexity:
115
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.042g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
197.099g/mol
Monoisotopic Mass:
196.042g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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