Basic information
- CAS
3337-70-0- Standard SMILES
COC(=O)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1- InChIKey
AZXRVBPSEKZZFS-UHFFFAOYSA-N- Molecular formula
- C8H8N2O6S
- Average molar mass
- 260.23 g/mol
- Monoisotopic mass
- 260.01030715
Names & identifiers
- Preferred name
- Methyl N-((4-nitrophenyl)sulfonyl)carbamate
- IUPAC
- methyl N-(4-nitrophenyl)sulfonylcarbamate
- English name
- methyl [(4-nitrophenyl)sulphonyl]carbamate
- Molecular formula
- C8H8N2O6S
- Molecular weight
- 260.22392
Names & synonyms
3337-70-0Carbamic acid, ((p-nitrophenyl)sulfonyl)-, methyl esterDTXSID80186992Carbamic acid, [(p-nitrophenyl)sulfonyl]-, methyl esterMethyl N-((4-nitrophenyl)sulfonyl)carbamateMethyl N-[(4-nitrophenyl)sulfonyl]carbamateRefChem:1089595DTXCID20109483Methyl N-(4-nitrobenzenesulphonyl)carbamatemethyl (4-nitrophenyl)sulfonylcarbamateEINECS 222-076-6MB 8882
Show more names
MB-8882M and B-8882methyl [(4-nitrophenyl)sulphonyl]carbamateN-[(p-Nitrophenyl)sulfonyl]carbamic acid methyl esterN-[(4-Nitrophenyl)sulfonyl]carbamic acid methyl esterCARBAMIC ACID,[(4-NITROPHENYL)SULFONYL]-,METHYL ESTER (9Cl)
BRN 2150238Methyl ((4-nitrophenyl)sulphonyl)carbamateN74P4LRL2QSCHEMBL9815588Carbamic acid, [(4-nitrophenyl)sulfonyl]-, methyl esterAZXRVBPSEKZZFS-UHFFFAOYSA-NMethyl p-nitrobenzenesulfonylcarbamateMethyl 4-nitrobenzenesulfonylcarbamate
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 387
Physicochemical properties
- Melting point
- 151 °C · 151°C
- Density
- 1.6648 · 1.6648 (rough estimate)
- refractive index
- 1.569 · 1.5690 (estimate)
- Water Solubility
- 999 mg/L · 999mg/L(temperature not stated)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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