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102438-65-3 | 2-Hexanone, 5-chloro-
CAS No: 102438-65-3 Catalog No: AG0007HX MDL No:
Product Description
Catalog Number:
AG0007HX
Chemical Name:
2-Hexanone, 5-chloro-
CAS Number:
102438-65-3
Molecular Formula:
C6H11ClO
Molecular Weight:
134.6039
IUPAC Name:
5-chlorohexan-2-one
InChI:
InChI=1S/C6H11ClO/c1-5(7)3-4-6(2)8/h5H,3-4H2,1-2H3
InChI Key:
FITVUNRTODZJID-UHFFFAOYSA-N
SMILES:
CC(CCC(=O)C)Cl
Properties
Complexity:
80.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
134.05g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
134.603g/mol
Monoisotopic Mass:
134.05g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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