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138197-91-8 | Cyclohexanone, 2,6-bis[(3-chlorophenyl)methylene]-
CAS No: 138197-91-8 Catalog No: AG00189M MDL No:
Product Description
Catalog Number:
AG00189M
Chemical Name:
Cyclohexanone, 2,6-bis[(3-chlorophenyl)methylene]-
CAS Number:
138197-91-8
Molecular Formula:
C20H16Cl2O
Molecular Weight:
343.2464
IUPAC Name:
2,6-bis[(3-chlorophenyl)methylidene]cyclohexan-1-one
InChI:
InChI=1S/C20H16Cl2O/c21-18-8-1-4-14(12-18)10-16-6-3-7-17(20(16)23)11-15-5-2-9-19(22)13-15/h1-2,4-5,8-13H,3,6-7H2
InChI Key:
YLYVKSBWJVLOJI-UHFFFAOYSA-N
SMILES:
Clc1cccc(c1)C=C1CCCC(=Cc2cccc(c2)Cl)C1=O
Properties
Complexity:
452
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
342.058g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
343.247g/mol
Monoisotopic Mass:
342.058g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
6.3
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