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24765-16-0 | Cyclohexanone, 2-[(4-chlorophenyl)methylene]-
CAS No: 24765-16-0 Catalog No: AG002PDB MDL No:
Product Description
Catalog Number:
AG002PDB
Chemical Name:
Cyclohexanone, 2-[(4-chlorophenyl)methylene]-
CAS Number:
24765-16-0
Molecular Formula:
C13H13ClO
Molecular Weight:
220.6947
IUPAC Name:
(2Z)-2-[(4-chlorophenyl)methylidene]cyclohexan-1-one
InChI:
InChI=1S/C13H13ClO/c14-12-7-5-10(6-8-12)9-11-3-1-2-4-13(11)15/h5-9H,1-4H2/b11-9-
InChI Key:
VTVVPTRDNLXHFT-LUAWRHEFSA-N
SMILES:
Clc1ccc(cc1)C=C1CCCCC1=O
NSC Number:
145680
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
220.065g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.696g/mol
Monoisotopic Mass:
220.065g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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