Benzene, 1-isocyanato-4-[(4-isocyanatocyclohexyl)methyl]-
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Basic information
- CAS
35438-85-8- Standard SMILES
O=C=Nc1ccc(CC2CCC(N=C=O)CC2)cc1- InChIKey
WFISGHNZCOYXMI-UHFFFAOYSA-N- Molecular formula
- C15H16N2O2
- Average molar mass
- 256.3 g/mol
- Monoisotopic mass
- 256.12117776
Names & identifiers
- Preferred name
- Benzene, 1-isocyanato-4-[(4-isocyanatocyclohexyl)methyl]-
- IUPAC
- 1-isocyanato-4-[(4-isocyanatocyclohexyl)methyl]benzene
- English name
- 4-[(4-Isocyanatocyclohexyl)methyl]phenyl isocyanate
- Molecular formula
- C15H16N2O2
- Molecular weight
- 256.3
Names & synonyms
35438-85-8Benzene, 1-isocyanato-4-[(4-isocyanatocyclohexyl)methyl]-Benzene, 1-isocyanato-4-((4-isocyanatocyclohexyl)methyl)-1-isocyanato-4-[(4-isocyanatocyclohexyl)methyl]benzeneSCHEMBL3013694-[(4-Isocyanatocyclohexyl)methyl]phenyl isocyanateDTXSID7074034DB-2628114-[(4-Isocyanatocyclohexyl)methyl ]phenyl isocyanate4-(4-Isocyanatobenzyl)cyclohexyl isocyanate
Database identifiers
- CAS
35438-85-8- PubChem CID
- 94468
- DTXSID
DTXSID7074034- Nikkaji
- J23.138J
Properties
Computed structural propertiesFilling in
- XLogP
- 5.2
- Topological polar surface area
- 58.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 368
Physicochemical properties
- EPA Substance Registry System
- 1 · Benzene, 1-isocyanato-4-[(4-isocyanatocyclohexyl)methyl]- (35438-85-8)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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