Basic information
- CAS
141884-92-6- Standard SMILES
O=C(O)c1ccc(CBr)c([N+](=O)[O-])c1.O=C1CCC(=O)N1- InChIKey
KJOBWXQEWWRKTA-UHFFFAOYSA-N- Molecular formula
- C12H11BrN2O6
- Average molar mass
- 359.13 g/mol
- Monoisotopic mass
- 357.98005
Overview
structure given in first source
Names & identifiers
- Preferred name
- 4-Bromomethyl-3-nitrobenzoic acid succinimide ester
- IUPAC
- 4-(bromomethyl)-3-nitrobenzoic acid;pyrrolidine-2,5-dione
- English name
- 4-bromomethyl-3-nitrobenzoic acid succinimide ester
- Molecular weight
- 0
Names & synonyms
Bnba-SE4-Bromomethyl-3-nitrobenzoic acid succinimide ester141884-92-6DTXSID20161844RefChem:98204DTXCID20843354-(Bromomethyl)-3-nitrobenzoic acid-2,5-pyrrolidinedione (1:1)4-(Bromomethyl)-3-nitrobenzoic acid--pyrrolidine-2,5-dione (1/1)
Database identifiers
- CAS
141884-92-6- PubChem CID
- 132385
- DTXSID
DTXSID20161844
Properties
Computed structural properties
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 345
Chemistry & industry
Suppliers1 total
CHEMICAL LAND21[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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