Carbamic acid, ((m-nitrophenyl)sulfonyl)-, ethyl ester
Basic information
- CAS
22819-24-5- Standard SMILES
CCOC(=O)NS(=O)(=O)c1cccc([N+](=O)[O-])c1- InChIKey
SLZGNLCNDUCQFA-UHFFFAOYSA-N- Molecular formula
- C9H10N2O6S
- Average molar mass
- 274.25 g/mol
- Monoisotopic mass
- 274.02595722
Names & identifiers
- Preferred name
- Carbamic acid, ((m-nitrophenyl)sulfonyl)-, ethyl ester
- IUPAC
- ethyl N-(3-nitrophenyl)sulfonylcarbamate
- English name
- N-[(m-Nitrophenyl)sulfonyl]carbamic acid ethyl ester
- Molecular formula
- C9H10N2O6S
- Molecular weight
- 274.25
Names & synonyms
22819-24-5CARBAMIC ACID, ((m-NITROPHENYL)SULFONYL)-, ETHYL ESTERBRN 2667086Ethyl N-(m-nitrophenylsulfonyl)carbamateBenzenesulfonamide, N-(ethoxycarbonyl)-m-nitro-DTXSID701773744-11-00-00184 (Beilstein Handbook Reference)RefChem:331716DTXCID0099865ethyl N-(3-nitrophenyl)sulfonylcarbamateETHYL N-(3-NITROBENZENESULFONYL)CARBAMATEEthyl ((3-nitrophenyl)sulfonyl)carbamate
Show more names
ethyl 3-nitrophenylsulfonylcarbamateCarbamic acid, N-[(3-nitrophenyl)sulfonyl]-, ethyl ester
ethyl (3-nitrophenyl)sulfonylcarbamateEthyl (3-nitrobenzene-1-sulfonyl)carbamateN-[(m-Nitrophenyl)sulfonyl]carbamic acid ethyl esterSCHEMBL1969168AKOS001322170DA-07903CS-0348211EN300-43745
Database identifiers
- CAS
22819-24-5- PubChem CID
- 31535
- DTXSID
DTXSID70177374- Nikkaji
- J42.808F
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 410
Physicochemical properties
- Melting point
- 102 · 102-103 °C
- Density
- 1.455 · 1.455±0.06 g/cm3(Predicted)
- pka
- 4.16 · 4.16±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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