Basic information
- Standard SMILES
COC(=O)C(C(=O)OC)c1ccc(Br)cc1[N+](=O)[O-]- InChIKey
NJAONFWUEGWOPG-UHFFFAOYSA-N- Molecular formula
- C11H10BrNO6
- Average molar mass
- 332.1 g/mol
Names & identifiers
- Preferred name
- 1,3-Dimethyl 2-(4-bromo-2-nitrophenyl)propanedioate
- IUPAC
- dimethyl 2-(4-bromo-2-nitrophenyl)propanedioate
Names & synonyms
100487-81-81,3-dimethyl 2-(4-bromo-2-nitrophenyl)propanedioatedimethyl 2-(4-bromo-2-nitrophenyl)malonateMFCD19288740dimethyl 4-bromo-2-nitrophenylmalonatedimethyl 2-(4-bromo-2-nitrophenyl)propanedioateSCHEMBL3952212-(4-Bromo-2-nitro-phenyl)-malonic acid dimethyl esterSCHEMBL30558592NJAONFWUEGWOPG-UHFFFAOYSA-NPropanedioic acid, (4-bromo-2-nitrophenyl)-, dimethyl esterAKOS022193625
Show more names
dimethyl 2-(4-bromo-2-nitrophenyl)-malonate5W-0035dimethyl 2-(4-bromo-2-nitro-phenyl)propanedioate1,3-dimethyl2-(4-bromo-2-nitrophenyl)propanedioateA1-284902-(4-bromo-2-nitrophenyl)malonic acid dimethyl ester
Database identifiers
- PubChem CID
- 15740596
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 98.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 353
Related reactions
71 records
Compound notes
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