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13280-00-7 | 2-Pentanone, 3-chloro-
CAS No: 13280-00-7 Catalog No: AG00117H MDL No:
Product Description
Catalog Number:
AG00117H
Chemical Name:
2-Pentanone, 3-chloro-
CAS Number:
13280-00-7
Molecular Formula:
C5H9ClO
Molecular Weight:
120.5774
IUPAC Name:
3-chloropentan-2-one
InChI:
InChI=1S/C5H9ClO/c1-3-5(6)4(2)7/h5H,3H2,1-2H3
InChI Key:
CKSIBFLEDRJUTN-UHFFFAOYSA-N
SMILES:
CCC(C(=O)C)Cl
EC Number:
236-282-9
Properties
Complexity:
70.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
120.034g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
120.576g/mol
Monoisotopic Mass:
120.034g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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