Basic information
- CAS
7251-28-7- Standard SMILES
CCOC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1Cl- InChIKey
UGNMHSAEARMZRD-UHFFFAOYSA-N- Molecular formula
- C9H7ClN2O6
- Average molar mass
- 274.61 g/mol
- Monoisotopic mass
- 273.9992636
Names & identifiers
- Preferred name
- Ethyl 2-chloro-3,5-dinitrobenzoate
- IUPAC
- ethyl 2-chloro-3,5-dinitrobenzoate
- English name
- Ethyl 2-chloro-3,5-dinitrobenzoate
- Molecular formula
- C9H7ClN2O6
- Molecular weight
- 274.61
Names & synonyms
Ethyl 2-chloro-3,5-dinitrobenzoate7251-28-7ethyl 2-chloro-3,5-dinitro-benzoate2-Chloro-3,5-dinitro-benzoic acid ethyl esterMFCD00033872NSC 44291NSC44291SCHEMBL8837568DTXSID60286227NSC-44291AKOS005878382Benzoic acid, 2-chloro-3,5-dinitro-, ethyl ester
Database identifiers
- CAS
7251-28-7- PubChem CID
- 239338
- DTXSID
DTXSID60286227
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 352
Physicochemical properties
- Melting point
- 54 °C · 54 °C
- Boiling point
- 394.4 · 394.4±37.0 °C(Predicted)
- Density
- 1.53 · 1.530±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SIGMAALDRICH—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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