Basic information
- CAS
74737-90-9- Standard SMILES
CC([N+](=O)[O-])S(=O)(=O)c1ccccc1- InChIKey
ARYWOYLHKLLIHV-UHFFFAOYSA-N- Molecular formula
- C8H9NO4S
- Average molar mass
- 215.23 g/mol
- Monoisotopic mass
- 215.02522894
Names & identifiers
- Preferred name
- (1-Nitroethanesulfonyl)benzene
- IUPAC
- 1-nitroethylsulfonylbenzene
Names & synonyms
(1-Nitroethanesulfonyl)benzene74737-90-9DTXSID50321439RefChem:204648DTXCID10272559NSC375384SCHEMBL7168039NSC-375384
Database identifiers
- CAS
74737-90-9- PubChem CID
- 341815
- DTXSID
DTXSID50321439- Nikkaji
- J1.349.434G
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 88.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 294
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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