Basic information
- CAS
23574-40-5- Standard SMILES
O=C(OCCBr)c1ccc([N+](=O)[O-])cc1- InChIKey
BBSUABROLDVKMB-UHFFFAOYSA-N- Molecular formula
- C9H8BrNO4
- Average molar mass
- 274.07 g/mol
- Monoisotopic mass
- 272.96367
Names & identifiers
- Preferred name
- 2-Bromoethyl 4-nitrobenzoate
- IUPAC
- 2-bromoethyl 4-nitrobenzoate
Names & synonyms
23574-40-52-bromoethyl 4-nitrobenzoateNSC131998SCHEMBL7221510DTXSID80946376BBSUABROLDVKMB-UHFFFAOYSA-NNSC-1319984-nitrobenzoic acid 2-bromo-ethyl ester
Database identifiers
- CAS
23574-40-5- PubChem CID
- 280396
- DTXSID
DTXSID80946376- Nikkaji
- J2.151.600G
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 233
Related reactions
4 records
Compound notes
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