1-Isocyanato-4-(2-isocyanato-2-methylpropyl)benzene
Basic information
- CAS
198283-44-2- Standard SMILES
CC(C)(Cc1ccc(N=C=O)cc1)N=C=O- InChIKey
PBQXPPBUIBHCIZ-UHFFFAOYSA-N- Molecular formula
- C12H12N2O2
- Average molar mass
- 216.24 g/mol
- Monoisotopic mass
- 216.08987763
Names & identifiers
- Preferred name
- 1-Isocyanato-4-(2-isocyanato-2-methylpropyl)benzene
- IUPAC
- 1-isocyanato-4-(2-isocyanato-2-methylpropyl)benzene
- English name
- Benzene, 1-isocyanato-4-(2-isocyanato-2-methylpropyl)- (9CI)
- Molecular formula
- C12H12N2O2
- Molecular weight
- 216.24
Names & synonyms
198283-44-21-isocyanato-4-(2-isocyanato-2-methylpropyl)benzeneBenzene, 1-isocyanato-4-(2-isocyanato-2-methylpropyl)- (9CI)SCHEMBL5166148DTXSID60408447BENZENE, 1-ISOCYANATO-4-(2-ISOCYANATO-2-METHYLPROPYL)-DB-273907
Database identifiers
- CAS
198283-44-2- PubChem CID
- 5111226
- DTXSID
DTXSID60408447
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 58.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 318
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Compound notes
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