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100614-59-3 | Benzene, 1-chloro-4-(chlorocyclohexylmethyl)-
CAS No: 100614-59-3 Catalog No: AG0002HZ MDL No:
Product Description
Catalog Number:
AG0002HZ
Chemical Name:
Benzene, 1-chloro-4-(chlorocyclohexylmethyl)-
CAS Number:
100614-59-3
Molecular Formula:
C13H16Cl2
Molecular Weight:
243.1721
IUPAC Name:
1-chloro-4-[chloro(cyclohexyl)methyl]benzene
InChI:
InChI=1S/C13H16Cl2/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h6-10,13H,1-5H2
InChI Key:
VFQOBXFQCUKULG-UHFFFAOYSA-N
SMILES:
ClC(c1ccc(cc1)Cl)C1CCCCC1
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.063g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.171g/mol
Monoisotopic Mass:
242.063g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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