2-Methyl-2-(3-nitro-4-bromophenyl)propionitrile
Basic information
- CAS
101184-74-1- Standard SMILES
CC(C)(C#N)c1ccc(Br)c([N+](=O)[O-])c1- InChIKey
RRQKQEQSHUYZET-UHFFFAOYSA-N- Molecular formula
- C10H9BrN2O2
- Average molar mass
- 269.09 g/mol
- Monoisotopic mass
- 267.98474
Names & identifiers
- Preferred name
- 2-Methyl-2-(3-nitro-4-bromophenyl)propionitrile
- IUPAC
- 2-(4-bromo-3-nitrophenyl)-2-methylpropanenitrile
Names & synonyms
2-(4-bromo-3-nitrophenyl)-2-methylpropanenitrile101184-74-12-methyl-2-(3-nitro-4-bromophenyl)propionitrileSCHEMBL9670920RRQKQEQSHUYZET-UHFFFAOYSA-NDTXSID501228387EN300-1915345Benzeneacetonitrile, 4-bromo-I+/-,I+/--dimethyl-3-nitro-
Database identifiers
- CAS
101184-74-1- PubChem CID
- 20161764
- DTXSID
DTXSID501228387
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 69.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 302
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
4 records
Compound notes
Loading…