Basic information
- CAS
100466-37-3- Standard SMILES
N#Cc1ccc(CBr)cc1[N+](=O)[O-]- InChIKey
IUFRZCMKRQGDID-UHFFFAOYSA-N- Molecular formula
- C8H5BrN2O2
- Average molar mass
- 241.04 g/mol
- Monoisotopic mass
- 239.95344
Names & identifiers
- Preferred name
- 4-(Bromomethyl)-2-nitrobenzonitrile
- IUPAC
- 4-(bromomethyl)-2-nitrobenzonitrile
- English name
- 4-(bromomethyl)-2-nitrobenzonitrile
- Molecular formula
- C8H5BrN2O2
- Molecular weight
- 241.04
Names & synonyms
100466-37-34-(bromomethyl)-2-nitrobenzonitrileBenzonitrile, 4-(bromomethyl)-2-nitro-4-Cyano-3-nitrobenzyl bromideSCHEMBL3921931DTXSID60619632DA-164985-(Bromomethyl)-2-cyanonitrobenzene
Database identifiers
- CAS
100466-37-3- PubChem CID
- 21896551
- DTXSID
DTXSID60619632
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 69.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 242
Chemistry & industry
Suppliers2 total
上海创焰化学科技有限公司021-11111111 11111111111 · [email protected]
Aromsyn Co., Ltd.+86-0571-85585865 +86-13336024896 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…