Basic information
- CAS
56709-74-1- Standard SMILES
COC(=O)c1c([N+](=O)[O-])c(Br)cc(OC)c1[N+](=O)[O-]- InChIKey
GJNLBOKRBFNVKQ-UHFFFAOYSA-N- Molecular formula
- C9H7BrN2O7
- Average molar mass
- 335.06 g/mol
- Monoisotopic mass
- 333.94366
Names & identifiers
- Preferred name
- Methyl 3-bromo-5-methoxy-2,6-dinitrobenzoate
- IUPAC
- methyl 3-bromo-5-methoxy-2,6-dinitrobenzoate
- English name
- 3-Bromo-5-methoxy-2,6-dinitro-benzoic acid methyl ester
- Molecular formula
- C9H7BrN2O7
- Molecular weight
- 335.07
Names & synonyms
56709-74-1methyl 3-bromo-5-methoxy-2,6-dinitrobenzoate3-BROMO-5-METHOXY-2,6-DINITRO-BENZOIC ACID METHYL ESTERDTXSID00408784AKOS024353678DB-004888ST50979878Benzoic acid, 3-bromo-5-methoxy-2,6-dinitro-, methyl ester
Database identifiers
- CAS
56709-74-1- PubChem CID
- 5148149
- DTXSID
DTXSID00408784
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 380
Chemistry & industry
Suppliers1 total
上海杰股生物科技有限公司021-51698675 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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