Basic information
- CAS
2756-52-7- Standard SMILES
CC(C)=CC1C(C(=O)Oc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)C1(C)C- InChIKey
RSZXHSOZHNQRLF-UHFFFAOYSA-N- Molecular formula
- C16H15Cl5O2
- Average molar mass
- 416.5 g/mol
- Monoisotopic mass
- 413.951468
Names & identifiers
- Preferred name
- (2,3,4,5,6-Pentachlorophenyl) 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
- IUPAC
- (2,3,4,5,6-pentachlorophenyl) 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
Names & synonyms
2756-52-7NSC32517(2,3,4,5,6-pentachlorophenyl) 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylateDTXSID80283617NSC-32517Pentachlorophenyl 2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropane-1-carboxylate
Database identifiers
- CAS
2756-52-7- PubChem CID
- 233643
- DTXSID
DTXSID80283617
Properties
Computed structural properties
- XLogP
- 8.5
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 487
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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