Basic information
- CAS
945299-11-6- Standard SMILES
COc1ccc(OC)c(Nc2ccc([N+](=O)[O-])cc2C#N)c1- InChIKey
KTYMFHWPEAFSQO-UHFFFAOYSA-N- Molecular formula
- C15H13N3O4
- Average molar mass
- 299.28 g/mol
Names & identifiers
- Preferred name
- 2-[(2,5-Dimethoxyphenyl)amino]-5-nitrobenzonitrile
- IUPAC
- 2-(2,5-dimethoxyanilino)-5-nitrobenzonitrile
- English name
- 2-[(2,5-dimethoxyphenyl)amino]-5-nitrobenzonitrile
- Molecular formula
- C15H13N3O4
- Molecular weight
- 299.28
Names & synonyms
2-[(2,5-dimethoxyphenyl)amino]-5-nitrobenzonitrile945299-11-6MFCD094553882-(2,5-dimethoxyanilino)-5-nitrobenzonitrile2-((2,5-Dimethoxyphenyl)amino)-5-nitrobenzonitrileALBB-004870AKOS000321515AKOS015941601LS-017892-(2,5-dimethoxyanilino)-5-nitro-benzonitrileH23605Benzonitrile, 2-[(2,5-dimethoxyphenyl)amino]-5-nitro-
Database identifiers
- CAS
945299-11-6
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 430
Physicochemical properties
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hazard_class
- IRRITANT
Chemistry & industry
Suppliers1 total
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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