Benzoic acid, 4-(dipropylamino)-3,5-dinitro-
Basic information
- CAS
2347-38-8- Standard SMILES
CCCN(CCC)c1c([N+](=O)[O-])cc(C(=O)O)cc1[N+](=O)[O-]- InChIKey
XTHSJCATZGIZLX-UHFFFAOYSA-N- Molecular formula
- C13H17N3O6
- Average molar mass
- 311.29 g/mol
- Monoisotopic mass
- 311.11173527
Names & identifiers
- Preferred name
- Benzoic acid, 4-(dipropylamino)-3,5-dinitro-
- IUPAC
- 4-(dipropylamino)-3,5-dinitrobenzoic acid
Names & synonyms
4-(Dipropylamino)-3,5-dinitrobenzoic acid2347-38-8Benzoic acid, 4-(dipropylamino)-3,5-dinitro-DTXSID10178022RefChem:327493DTXCID40100513Dipropylamino-dinitro-benzoic acidOprea1_110776SCHEMBL7826111STL505979AKOS0036227764-(dipropylamino)-3,5-dinitro-benzoic acid
Show more names
SR-01000025858SR-01000025858-1Z56763882
Database identifiers
- CAS
2347-38-8- PubChem CID
- 478799
- DTXSID
DTXSID10178022- Nikkaji
- J930.686B
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 389
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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