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79386-90-6 | 1,5-dichloropentan-2-one
CAS No: 79386-90-6 Catalog No: AG005K6Y MDL No:MFCD00182607
Product Description
Catalog Number:
AG005K6Y
Chemical Name:
1,5-dichloropentan-2-one
CAS Number:
79386-90-6
Molecular Formula:
C5H8Cl2O
Molecular Weight:
155.0224
MDL Number:
MFCD00182607
IUPAC Name:
1,5-dichloropentan-2-one
InChI:
InChI=1S/C5H8Cl2O/c6-3-1-2-5(8)4-7/h1-4H2
InChI Key:
OUWVBPFCCNMXTP-UHFFFAOYSA-N
SMILES:
ClCCCC(=O)CCl
NSC Number:
97119
Properties
Complexity:
72.8
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
153.995g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
155.018g/mol
Monoisotopic Mass:
153.995g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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