Butanoic acid, pentachlorophenyl ester
Basic information
- CAS
7476-90-6- Standard SMILES
CCCC(=O)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl- InChIKey
KCXVYDVAQYFMHH-UHFFFAOYSA-N- Molecular formula
- C10H7Cl5O2
- Average molar mass
- 336.4 g/mol
- Monoisotopic mass
- 333.888868
Names & identifiers
- Preferred name
- Butanoic acid, pentachlorophenyl ester
- IUPAC
- (2,3,4,5,6-pentachlorophenyl) butanoate
Names & synonyms
Pentachlorophenyl butyrate7476-90-6Butyric acid, pentachlorophenyl esterButanoic acid, pentachlorophenyl esterButanoic acid, pentachlorophenyl ester (9CI)DTXSID50225746NSC 404411RefChem:330928DTXCID80148237(2,3,4,5,6-pentachlorophenyl) butanoateButyric acid, pentachloro-phenyl esterPentachlorophenyl butanoate
Show more names
SCHEMBL2885765NSC404411NSC-404411
Database identifiers
- CAS
7476-90-6- PubChem CID
- 101274
- DTXSID
DTXSID50225746
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 259
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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