Carboxyfenitrothion
Basic information
- CAS
54812-31-6- Standard SMILES
COP(=S)(OC)Oc1ccc([N+](=O)[O-])c(C(=O)O)c1- InChIKey
VQQKSYZYVZFNSY-UHFFFAOYSA-N- Molecular formula
- C9H10NO7PS
- Average molar mass
- 307.22 g/mol
- Monoisotopic mass
- 306.99155983
Overview
photodecomposition product of fenitrothion
Names & identifiers
- Preferred name
- Carboxyfenitrothion
- IUPAC
- 5-dimethoxyphosphinothioyloxy-2-nitrobenzoic acid
- English name
- carboxyfenitrothion
- Molecular formula
- C9H10NO7PS
- Molecular weight
- 307.22
Names & synonyms
Carboxyfenitrothion54812-31-6DTXSID50203307RefChem:123661DTXCID10125798O,O-dimethyl O-(3-carboxy-4-nitrophenyl)phosphorothioateCarboxysumithion3-Carboxyfenitrothion5-dimethoxyphosphinothioyloxy-2-nitrobenzoic acidCarbomethoxyfenitrothionBENZOIC ACID, 5-((DIMETHOXYPHOSPHINOTHIOYL)OXY)-2-NITRO-BRN 2164235
Show more names
Benzoic acid, 5-[(dimethoxyphosphinothioyl)oxy]-2-nitro-5-((Dimethoxyphosphinothioyl)oxy)-2-nitrobenzoic acidPhosphorothioic acid, O-(3-carboxy-4-nitrophenyl) O,O-dimethyl esterNS000021275-[(Dimethoxyphosphorothioyl)oxy]-2-nitrobenzoic acid
Database identifiers
- CAS
54812-31-6- PubChem CID
- 41194
- DTXSID
DTXSID50203307- Nikkaji
- J385.139G
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 143 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 391
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…