Basic information
- CAS
5766-69-8- Standard SMILES
N#CCNc1nc(Cl)nc(NCC#N)n1- InChIKey
GCIPSKDPZZZTFB-UHFFFAOYSA-N- Molecular formula
- C7H6ClN7
- Average molar mass
- 223.62 g/mol
- Monoisotopic mass
- 223.0373209
Names & identifiers
- Preferred name
- Acetonitrile, 2,2'-((6-chloro-1,3,5-triazine-2,4-diyl)diimino)bis-
- IUPAC
- 2-[[4-chloro-6-(cyanomethylamino)-1,3,5-triazin-2-yl]amino]acetonitrile
Names & synonyms
BRN 0235474ACETONITRILE, 2,2'-((6-CHLORO-1,3,5-TRIAZINE-2,4-DIYL)DIIMINO)BIS-2-Chlor-4,6-dicyanomethylamino-s-triazin [German]2-Chlor-4,6-dicyanomethylamino-s-triazinGlycinonitrile, N,N'-(6-chloro-s-triazine-2,4-diyl)di-5766-69-8DTXSID402063624-26-00-01215 (Beilstein Handbook Reference)RefChem:316850DTXCID401288532,2'-[(6-Chloro-1,3,5-triazine-2,4-diyl)bis(azanediyl)]diacetonitrile
Database identifiers
- CAS
5766-69-8- PubChem CID
- 21986
- DTXSID
DTXSID40206362
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 260
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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