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83803-75-2 | Methanone,(1-chlorocyclohexyl)cyclohexyl-
CAS No: 83803-75-2 Catalog No: AG004SJH MDL No:
Product Description
Catalog Number:
AG004SJH
Chemical Name:
Methanone,(1-chlorocyclohexyl)cyclohexyl-
CAS Number:
83803-75-2
Molecular Formula:
C13H21ClO
Molecular Weight:
228.7582
IUPAC Name:
(1-chlorocyclohexyl)-cyclohexylmethanone
InChI:
InChI=1S/C13H21ClO/c14-13(9-5-2-6-10-13)12(15)11-7-3-1-4-8-11/h11H,1-10H2
InChI Key:
XUQRWKLGCUYTBQ-UHFFFAOYSA-N
SMILES:
O=C(C1(Cl)CCCCC1)C1CCCCC1
EC Number:
280-893-3
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.128g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.76g/mol
Monoisotopic Mass:
228.128g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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