Basic information
- CAS
49550-77-8- Standard SMILES
CC1(C)[C@H](C=C(Cl)Cl)[C@H]1C(=O)OCc1coc(Cc2ccccc2)c1- InChIKey
NKISTTWJULDICJ-AEFFLSMTSA-N- Molecular formula
- C20H20Cl2O3
- Average molar mass
- 379.3 g/mol
- Monoisotopic mass
- 378.0789499
Names & identifiers
- Preferred name
- Nrdc 140
- IUPAC
- cis-(5-benzylfuran-3-yl)methyl (1R,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate
Names & synonyms
NRDC 140DTXSID5020037152341-30-7RefChem:1093327DTXCID50122862NRDC 134(1R-trans)-(5-(Phenylmethyl)-3-furanyl)methyl 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarboxylate49550-77-8Cyclopropanecarboxylic acid, 3-(2,2-dichloroethenyl)-2,2-dimethyl-, (5-(phenylmethyl)-3-furanyl)methyl ester, (1R-trans)-Cyclopropanecarboxylic acid, 3-(2,2-dichloroethenyl)-2,2-dimethyl-, (5-(phenylmethyl)-3-furanyl)methyl ester, trans-(+-)-(5-Benzylfuran-3-yl)methyl (1R,3S)-3-(2,2-dichloroethen-1-yl)-2,2-dimethylcyclopropane-1-carboxylate
Database identifiers
- CAS
49550-77-8、52341-30-7- PubChem CID
- 40324
- DTXSID
DTXSID50200371- Nikkaji
- J458.711A
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 39.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 507
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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