Basic information
- CAS
64059-07-0- Standard SMILES
CCOC(=O)N(CC)S(=O)(=O)c1ccc([N+](=O)[O-])cc1- InChIKey
YJONQNIHVSIQFS-UHFFFAOYSA-N- Molecular formula
- C11H14N2O6S
- Average molar mass
- 302.31 g/mol
- Monoisotopic mass
- 302.05725734
Names & identifiers
- Preferred name
- Carbamic acid, N-ethyl-N-(p-nitrophenyl)sulfonyl-, ethyl ester
- IUPAC
- ethyl N-ethyl-N-(4-nitrophenyl)sulfonylcarbamate
- English name
- N-Ethyl-N-(p-nitrophenylsulfonyl)carbamic acid ethyl ester
- Molecular formula
- C11H14N2O6S
- Molecular weight
- 302.3
Names & synonyms
CARBAMIC ACID, N-ETHYL-N-(p-NITROPHENYL)SULFONYL-, ETHYL ESTER64059-07-0Ethyl-N-(4-nitrobenzenesulfonyl) urethaneDTXSID40214245RefChem:332692DTXCID40136736N-Ethyl-N-(p-nitrophenylsulfonyl)carbamic acid ethyl esterDB-321151Ethyl ethyl(4-nitrobenzene-1-sulfonyl)carbamateCarbamic acid, ethyl[(4-nitrophenyl)sulfonyl]-, ethyl ester (9CI)
Database identifiers
- CAS
64059-07-0- PubChem CID
- 47209
- DTXSID
DTXSID40214245- Nikkaji
- J67.607A
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 445
Physicochemical properties
- Boiling point
- 434.2 · 434.2±47.0 °C(Predicted)
- Density
- 1.375 · 1.375±0.06 g/cm3(Predicted)
- pka
- -12.89 · -12.89±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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