Carbanilic acid, 4-bromo-3-chlorodithio-, p-chlorobenzyl ester
Basic information
- CAS
20975-39-7- Standard SMILES
S=C(Nc1ccc(Br)c(Cl)c1)SCc1ccc(Cl)cc1- InChIKey
YOQGKJAKQVYCLV-UHFFFAOYSA-N- Molecular formula
- C14H10BrCl2NS2
- Average molar mass
- 407.2 g/mol
- Monoisotopic mass
- 404.88151
Names & identifiers
- Preferred name
- Carbanilic acid, 4-bromo-3-chlorodithio-, p-chlorobenzyl ester
- IUPAC
- (4-chlorophenyl)methyl N-(4-bromo-3-chlorophenyl)carbamodithioate
Names & synonyms
CARBANILIC ACID, 4-BROMO-3-CHLORODITHIO-, p-CHLOROBENZYL ESTER4-Bromo-3-chlorodithiocarbanilic acid p-chlorobenzyl esterDTXSID00175161p-Chlorobenzyl 4-bromo-3-chlorodithiocarbanilate20975-39-7RefChem:332974DTXCID1097652(4-Chlorophenyl)methyl (4-bromo-3-chlorophenyl)carbamodithioate
Database identifiers
- CAS
20975-39-7- PubChem CID
- 3032736
- DTXSID
DTXSID00175161
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 69.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 324
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Compound notes
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