5-Methyl-2,4-dinitrobenzoic acid
Basic information
- Standard SMILES
Cc1cc(C(=O)O)c([N+](=O)[O-])cc1[N+](=O)[O-]- InChIKey
SESSPRSOEAVOMC-UHFFFAOYSA-N- Molecular formula
- C8H6N2O6
- Average molar mass
- 226.14 g/mol
Names & identifiers
- Preferred name
- 5-Methyl-2,4-dinitrobenzoic acid
- IUPAC
- 5-methyl-2,4-dinitrobenzoic acid
Names & synonyms
5-methyl-2,4-dinitrobenzoic acid1723-15-5SCHEMBL3956965-methyl-2,4-dinitrobenzoicacidSESSPRSOEAVOMC-UHFFFAOYSA-N5-methyl-2,4-dinitro-benzoic acidMFCD00823341STK672237AKOS001702904SY479727DB-306774ST4023466
Show more names
C91639SR-01000089955SR-01000089955-1
Database identifiers
- PubChem CID
- 3671900
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 319
Related reactions
19 records
Compound notes
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