Basic information
- CAS
7357-29-1- Standard SMILES
C=CCNCCC#N.Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl- InChIKey
YHEIJDFHYNZTAS-UHFFFAOYSA-N- Molecular formula
- C12H11Cl5N2O
- Average molar mass
- 376.5 g/mol
- Monoisotopic mass
- 373.931401
Names & identifiers
- Preferred name
- 2,3,4,5,6-Pentachlorophenol; 3-(prop-2-enylamino)propanenitrile
- IUPAC
- 2,3,4,5,6-pentachlorophenol;3-(prop-2-enylamino)propanenitrile
- English name
- 2,3,4,5,6-pentachlorophenol, 3-(prop-2-enylamino)propanenitrile
- Molecular formula
- C12H11Cl5N2O
- Molecular weight
- 0
Names & synonyms
7357-29-1NSC407752,3,4,5,6-pentachlorophenol; 3-(prop-2-enylamino)propanenitrileDTXSID50285168NSC-407753-[(Prop-2-en-1-yl)amino]propanenitrile--pentachlorophenol (1/1)2,3,4,5,6-pentachlorophenol, 3-(prop-2-enylamino)propanenitrile
Database identifiers
- CAS
7357-29-1- PubChem CID
- 237359
- DTXSID
DTXSID50285168
Properties
Computed structural properties
- Topological polar surface area
- 56.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 248
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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