Basic information
- CAS
6322-39-0- Standard SMILES
NC(=Nc1ccc([N+](=O)[O-])cc1)Nc1ccc([N+](=O)[O-])cc1- InChIKey
BXONURWDLHJQPY-UHFFFAOYSA-N- Molecular formula
- C13H11N5O4
- Average molar mass
- 301.26 g/mol
- Monoisotopic mass
- 301.08110385
Names & identifiers
- Preferred name
- 1,2-Bis(4-nitrophenyl)guanidine
- IUPAC
- 1,2-bis(4-nitrophenyl)guanidine
Names & synonyms
6322-39-01,2-bis(4-nitrophenyl)guanidineNSC31519SCHEMBL16470335SCHEMBL16470336DTXSID90283441N,N''-Bis(4-nitrophenyl)guanidineNSC-31519
Database identifiers
- CAS
6322-39-0- PubChem CID
- 233223
- DTXSID
DTXSID90283441- Nikkaji
- J259.264I
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 142 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 429
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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