Phosphonothioic acid, ((2-nitrophenyl)methyl)-, O,O-dimethyl ester
Basic information
- CAS
105100-23-0- Standard SMILES
COP(=S)(Cc1ccccc1[N+](=O)[O-])OC- InChIKey
RPWLOOHXLWWOFR-UHFFFAOYSA-N- Molecular formula
- C9H12NO4PS
- Average molar mass
- 261.24 g/mol
- Monoisotopic mass
- 261.02246604
Names & identifiers
- Preferred name
- Phosphonothioic acid, ((2-nitrophenyl)methyl)-, O,O-dimethyl ester
- IUPAC
- dimethoxy-[(2-nitrophenyl)methyl]-sulfanylidene-λ5-phosphane
Names & synonyms
105100-23-0Phosphonothioic acid, [(2-nitrophenyl)methyl]-, O,O-dimethyl esterPhosphonothioic acid, ((2-nitrophenyl)methyl)-, O,O-dimethyl esterRefChem:370706O,O-Dimethyl (2-nitrobenzyl)thiophosphonateRPWLOOHXLWWOFR-UHFFFAOYSA-NDTXSID401164744O,O-Dimethyl 2-nitrobenzylphosphonothioate #O,O-Dimethyl [(2-nitrophenyl)methyl]phosphonothioate
Database identifiers
- CAS
105100-23-0- PubChem CID
- 611968
- DTXSID
DTXSID401164744
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 96.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 286
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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