Basic information
- CAS
329-83-9- Standard SMILES
O=C(NN=C1CCCC1)c1ccc([N+](=O)[O-])cc1- InChIKey
QVSXYVVAOWEMJV-UHFFFAOYSA-N- Molecular formula
- C12H13N3O3
- Average molar mass
- 247.25 g/mol
- Monoisotopic mass
- 247.09569129
Names & identifiers
- Preferred name
- Benzoic acid, p-nitro-, cyclopentylidenehydrazide
- IUPAC
- N-(cyclopentylideneamino)-4-nitrobenzamide
Names & synonyms
N-(cyclopentylideneamino)-4-nitrobenzamide329-83-9BENZOIC ACID, p-NITRO-, CYCLOPENTYLIDENEHYDRAZIDEBenzoic acid, 4-nitro-, cyclopentylidenehydrazideNSC-404146E4YB2F3H6YDTXSID20186552RefChem:1079325DTXCID60109043N'-cyclopentylidene-4-nitrobenzohydrazideNSC 404146BRN 3353138
Show more names
p-Nitrobenzoic acid cyclopentylidene hydrazidebenzoic acid, 4-nitro-, 2-cyclopentylidenehydrazideNSC404146CBDivE_008019WLN: L5TJ AMMVR DNW3-09-00-01753 (Beilstein Handbook Reference)MLS000727959CHEMBL1596840
Database identifiers
- CAS
329-83-9- PubChem CID
- 9498
- DTXSID
DTXSID20186552- ChEMBL
CHEMBL1596840- UNII
- E4YB2F3H6Y
- Nikkaji
- J54.526K
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 87.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 346
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…