Basic information
- CAS
1986-61-4- Standard SMILES
NC(=Nc1ccc([N+](=O)[O-])cc1)c1ccccc1- InChIKey
KKHKAKFFKIQWLS-UHFFFAOYSA-N- Molecular formula
- C13H11N3O2
- Average molar mass
- 241.24 g/mol
- Monoisotopic mass
- 241.0851266
Names & identifiers
- Preferred name
- Benzenecarboximidamide, N-(4-nitrophenyl)-
- IUPAC
- N'-(4-nitrophenyl)benzenecarboximidamide
- English name
- Benzenecarboximidamide,N-(4-nitrophenyl)-
- Molecular formula
- C13H11N3O2
- Molecular weight
- 241.25
Names & synonyms
N-(4-Nitrophenyl)benzenecarboximidamide1986-61-4Benzenecarboximidamide, N-(4-nitrophenyl)-NSC 159438DTXSID50173612RefChem:324508DTXCID9096103N'-(4-nitrophenyl)benzenecarboximidamideNSC159438N-4-nitrophenylbenzamidineBENZENECARBOXIMIDAMIDE,N-(4-NITROPHENYL)-SCHEMBL4869749
Show more names
SCHEMBL6967368NSC-159438
Database identifiers
- CAS
1986-61-4- PubChem CID
- 98694
- DTXSID
DTXSID50173612- Nikkaji
- J2.921.780G
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 84.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 311
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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