2-(2,4-Dinitrophenoxy)-3-methylbenzoic acid
Basic information
- CAS
7470-77-1- Standard SMILES
Cc1cccc(C(=O)O)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]- InChIKey
ZRCHSVCHZPSWRT-UHFFFAOYSA-N- Molecular formula
- C14H10N2O7
- Average molar mass
- 318.24 g/mol
- Monoisotopic mass
- 318.04880066
Names & identifiers
- Preferred name
- 2-(2,4-Dinitrophenoxy)-3-methylbenzoic acid
- IUPAC
- 2-(2,4-dinitrophenoxy)-3-methylbenzoic acid
Names & synonyms
7470-77-12-(2,4-dinitrophenoxy)-3-methylbenzoic acidNSC402442DTXSID50322946NSC-402442
Database identifiers
- CAS
7470-77-1- PubChem CID
- 345112
- DTXSID
DTXSID50322946
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 138 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 473
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Compound notes
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