N-[5-(Methylideneamino)-2-nitro-phenyl]methanimine
Basic information
- CAS
7474-79-5- Standard SMILES
C=Nc1ccc([N+](=O)[O-])c(N=C)c1- InChIKey
ZKDWWPRNULCLMF-UHFFFAOYSA-N- Molecular formula
- C8H7N3O2
- Average molar mass
- 177.16 g/mol
- Monoisotopic mass
- 177.05382648
Names & identifiers
- Preferred name
- N-[5-(Methylideneamino)-2-nitro-phenyl]methanimine
- IUPAC
- N-[3-(methylideneamino)-4-nitrophenyl]methanimine
Names & synonyms
7474-79-5NSC 401089NSC401089N-[5-(METHYLIDENEAMINO)-2-NITRO-PHENYL]METHANIMINEDTXSID90322364NSC-401089DS-002329N,N'-(4-Nitro-1,3-phenylene)dimethanimine
Database identifiers
- CAS
7474-79-5- PubChem CID
- 344271
- DTXSID
DTXSID90322364
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 70.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 224
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Compound notes
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