Basic information
- CAS
10477-99-3- Standard SMILES
CC(C)OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1- InChIKey
FAYNAMQMBONHIQ-UHFFFAOYSA-N- Molecular formula
- C10H10N2O6
- Average molar mass
- 254.2 g/mol
- Monoisotopic mass
- 254.05388604
Names & identifiers
- Preferred name
- Benzoic acid, 3,5-dinitro, isopropyl ester
- IUPAC
- propan-2-yl 3,5-dinitrobenzoate
- English name
- Benzoic acid, 3,5-dinitro-, 1-Methylethyl ester
- Molecular formula
- C10H10N2O6
- Molecular weight
- 254.2
Names & synonyms
10477-99-3Benzoic acid, 3,5-dinitro, isopropyl esterDTXSID10333735RefChem:1079052DTXCID20284825propan-2-yl 3,5-dinitrobenzoateisopropyl 3,5-dinitrobenzoateBenzoic acid, 3,5-dinitro-, 1-methylethyl esterSCHEMBL5708190Isopropyl 3, 5-dinitrobenzoateFAYNAMQMBONHIQ-UHFFFAOYSA-NBenzoic acid, 3,5-dinitro, 1-methylethyl ester
Database identifiers
- CAS
10477-99-3- PubChem CID
- 517852
- DTXSID
DTXSID10333735- Nikkaji
- J2.079.574C
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 323
Physicochemical properties
- Melting point
- 120 °C · 120 °C
- Boiling point
- 371 · 371.0±22.0 °C(Predicted)
- Density
- 1.378 · 1.378±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers1 total
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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