Basic information
- CAS
35727-90-3- Standard SMILES
Cc1c(Cl)cccc1Nc1c(C#N)c(Cl)c(C#N)c(Cl)c1C#N- InChIKey
LIEQSVXPMNTMOA-UHFFFAOYSA-N- Molecular formula
- C16H7Cl3N4
- Average molar mass
- 361.6 g/mol
- Monoisotopic mass
- 359.973629
Names & identifiers
- Preferred name
- 1,3,5-Benzenetricarbonitrile, 2-(3-chloro-2-methylanilino)-4,6-dichloro-
- IUPAC
- 2,4-dichloro-6-(3-chloro-2-methylanilino)benzene-1,3,5-tricarbonitrile
- English name
- 2,4-Dichloro-6-[(3-chloro-2-methylphenyl)amino]-1,3,5-benzenetricarbonitrile
- Molecular formula
- C16H7Cl3N4
- Molecular weight
- 361.62
Names & synonyms
BRN 278483935727-90-31,3,5-Benzenetricarbonitrile, 2-(3-chloro-2-methylanilino)-4,6-dichloro-2-(3-Chloro-2-methylanilino)-4,6-dichlorotrimesonitrileDTXSID601892642-(3-Chloro-2-methylanilino)-4,6-dichloro-1,3,5-benzenetricarbonitrileRefChem:217144DTXCID901117552,4-dichloro-6-(3-chloro-2-methylanilino)benzene-1,3,5-tricarbonitrileCHEMBL32481731,3,5-Benzenetricarbonitrile, 2,4-dichloro-6-[(3-chloro-2-methylphenyl)amino]-2-(3-Chloro-2-methylanilino)-4,6-dichlorobenzene-1,3,5-tricarbonitrile
Show more names
2,4-Dichloro-6-[(3-chloro-2-methylphenyl)amino]-1,3,5-benzenetricarbonitrile
Database identifiers
- CAS
35727-90-3
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 83.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 552
Physicochemical properties
- EPA Substance Registry System
- 1 · 1,3,5-Benzenetricarbonitrile, 2,4-dichloro-6-[(3-chloro-2-methylphenyl)amino]- (35727-90-3)
Related reactions
0 records
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Compound notes
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