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25143-49-1 | 1,1'-Bicyclohexyl, 4,4'-diisocyanato-
CAS No: 25143-49-1 Catalog No: AG002QLL MDL No:
Product Description
Catalog Number:
AG002QLL
Chemical Name:
1,1'-Bicyclohexyl, 4,4'-diisocyanato-
CAS Number:
25143-49-1
Molecular Formula:
C14H20N2O2
Molecular Weight:
248.3208
IUPAC Name:
1-isocyanato-4-(4-isocyanatocyclohexyl)cyclohexane
InChI:
InChI=1S/C14H20N2O2/c17-9-15-13-5-1-11(2-6-13)12-3-7-14(8-4-12)16-10-18/h11-14H,1-8H2
InChI Key:
XXHBOIDTCOIIII-UHFFFAOYSA-N
SMILES:
O=C=NC1CCC(CC1)C1CCC(CC1)N=C=O
Properties
Complexity:
318
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.152g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.326g/mol
Monoisotopic Mass:
248.152g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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