Methyl 6-bromo-4-nitro-1,3-benzodioxole-5-carboxylate
Basic information
- CAS
30034-56-1- Standard SMILES
COC(=O)c1c(Br)cc2c(c1[N+](=O)[O-])OCO2- InChIKey
OQHOSDHFOIULQN-UHFFFAOYSA-N- Molecular formula
- C9H6BrNO6
- Average molar mass
- 304.05 g/mol
- Monoisotopic mass
- 302.93785
Names & identifiers
- Preferred name
- Methyl 6-bromo-4-nitro-1,3-benzodioxole-5-carboxylate
- IUPAC
- methyl 6-bromo-4-nitro-1,3-benzodioxole-5-carboxylate
Names & synonyms
30034-56-1methyl 6-bromo-4-nitro-1,3-benzodioxole-5-carboxylateNSC127676DTXSID60299034NSC-127676METHYL 6-BROMO-4-NITRO-2H-1,3-BENZODIOXOLE-5-CARBOXYLATE
Database identifiers
- CAS
30034-56-1- PubChem CID
- 278263
- DTXSID
DTXSID60299034
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 90.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 332
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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