Basic information
- CAS
50539-76-9- Standard SMILES
CN(Sc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)C(=O)Oc1cccc2c1OC(C)(C)C2- InChIKey
IOTVNIPKZLCUNI-UHFFFAOYSA-N- Molecular formula
- C18H14Cl5NO3S
- Average molar mass
- 501.6 g/mol
- Monoisotopic mass
- 498.913703
Names & identifiers
- Preferred name
- Carbamic acid, methyl((pentachlorophenyl)thio)-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester
- IUPAC
- (2,2-dimethyl-3H-1-benzofuran-7-yl) N-methyl-N-(2,3,4,5,6-pentachlorophenyl)sulfanylcarbamate
Names & synonyms
Carbamic acid, methyl((pentachlorophenyl)thio)-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester50539-76-9DTXSID40198556Methyl((pentachlorophenyl)thio)carbamic acid 2,3-dihydro-2,2-dimethyl-7-benzofuranyl esterRefChem:332502DTXCID001210472,2-Dimethyl-2,3-dihydro-1-benzofuran-7-yl methyl[(pentachlorophenyl)sulfanyl]carbamate
Database identifiers
- CAS
50539-76-9- PubChem CID
- 39700
- DTXSID
DTXSID40198556
Properties
Computed structural properties
- XLogP
- 7.7
- Topological polar surface area
- 64.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 569
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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