Basic information
- CAS
17710-61-1- Standard SMILES
O=C(Nc1ccc([N+](=O)[S-])cc1)Oc1ccc(Cl)cc1- InChIKey
UAVLTVQQUWUYGL-UHFFFAOYSA-N- Molecular formula
- C13H9ClN2O3S
- Average molar mass
- 308.74 g/mol
- Monoisotopic mass
- 308.002241
Names & identifiers
- Preferred name
- Carbanilic acid, p-nitrothio-, O-(p-chlorophenyl) ester
- IUPAC
- [4-[(4-chlorophenoxy)carbonylamino]phenyl]-oxo-sulfidoazanium
- English name
- N-(4-Nitrophenyl)thiocarbamic acid O-(4-chlorophenyl) ester
- Molecular weight
- 0
Names & synonyms
17710-61-1p-Chlorophenyl N-(p-nitrophenyl)thiocarbamateBRN 2757970p-Nitrothiocarbanilic acid O-(p-chlorophenyl) esterCARBANILIC ACID, p-NITROTHIO-, O-(p-CHLOROPHENYL) ESTERDTXSID40170256RefChem:333189DTXCID5092747[4-[(4-chlorophenoxy)carbonylamino]phenyl]-oxo-sulfidoazaniumN-(4-Nitrophenyl)thiocarbamic acid O-(4-chlorophenyl) ester4-Chlorophenyl {4-[oxo(sulfanylidene)-lambda~5~-azanyl]phenyl}carbamate
Database identifiers
- CAS
17710-61-1- PubChem CID
- 28703
- DTXSID
DTXSID40170256
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 59.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 354
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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