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18127-48-5 | Cyclohexane, 1-isocyanato-2-[(4-isocyanatocyclohexyl)methyl]-
CAS No: 18127-48-5 Catalog No: AG0022SQ MDL No:
Product Description
Catalog Number:
AG0022SQ
Chemical Name:
Cyclohexane, 1-isocyanato-2-[(4-isocyanatocyclohexyl)methyl]-
CAS Number:
18127-48-5
Molecular Formula:
C15H22N2O2
Molecular Weight:
262.3474
IUPAC Name:
1-isocyanato-2-[(4-isocyanatocyclohexyl)methyl]cyclohexane
InChI:
InChI=1S/C15H22N2O2/c18-10-16-14-7-5-12(6-8-14)9-13-3-1-2-4-15(13)17-11-19/h12-15H,1-9H2
InChI Key:
FPWRWTXOOZSCTB-UHFFFAOYSA-N
SMILES:
O=C=NC1CCC(CC1)CC1CCCCC1N=C=O
Properties
Complexity:
376
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.168g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
262.353g/mol
Monoisotopic Mass:
262.168g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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