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101251-85-8 | 4-Octanone, 3-chloro-
CAS No: 101251-85-8 Catalog No: AG00042R MDL No:MFCD18820554
Product Description
Catalog Number:
AG00042R
Chemical Name:
4-Octanone, 3-chloro-
CAS Number:
101251-85-8
Molecular Formula:
C8H15ClO
Molecular Weight:
162.6571
MDL Number:
MFCD18820554
IUPAC Name:
3-chlorooctan-4-one
InChI:
InChI=1S/C8H15ClO/c1-3-5-6-8(10)7(9)4-2/h7H,3-6H2,1-2H3
InChI Key:
GNIMWUVTLCMXGN-UHFFFAOYSA-N
SMILES:
CCCCC(=O)C(CC)Cl
Properties
Complexity:
101
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.081g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
162.657g/mol
Monoisotopic Mass:
162.081g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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