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191722-72-2 | Benzene, 1-cyclohexyl-4-isocyanato-
CAS No: 191722-72-2 Catalog No: AG002FFO MDL No:
Product Description
Catalog Number:
AG002FFO
Chemical Name:
Benzene, 1-cyclohexyl-4-isocyanato-
CAS Number:
191722-72-2
Molecular Formula:
C13H15NO
Molecular Weight:
201.2643
IUPAC Name:
1-cyclohexyl-4-isocyanatobenzene
InChI:
InChI=1S/C13H15NO/c15-10-14-13-8-6-12(7-9-13)11-4-2-1-3-5-11/h6-9,11H,1-5H2
InChI Key:
VDFSJSHFOGBMMI-UHFFFAOYSA-N
SMILES:
O=C=Nc1ccc(cc1)C1CCCCC1
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.115g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
201.269g/mol
Monoisotopic Mass:
201.115g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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