2-Chloro-1,4-diisocyanatobenzene
Basic information
- CAS
76806-35-4- Standard SMILES
O=C=Nc1ccc(N=C=O)c(Cl)c1- InChIKey
GBGORBREQNJWLW-UHFFFAOYSA-N- Molecular formula
- C8H3ClN2O2
- Average molar mass
- 194.57 g/mol
- Monoisotopic mass
- 193.988305
Names & identifiers
- Preferred name
- 2-Chloro-1,4-diisocyanatobenzene
- IUPAC
- 2-chloro-1,4-diisocyanatobenzene
Names & synonyms
2-Chloro-1,4-diisocyanatobenzene76806-35-4SCHEMBL462305SCHEMBL29709073DTXSID40621470
Database identifiers
- CAS
76806-35-4- PubChem CID
- 22011507
- DTXSID
DTXSID40621470- Nikkaji
- J30.183C
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 58.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 269
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…