O-(2-Chloroprop-2-en-1-yl) O-(4-nitrophenyl) methylphosphonothioate
Basic information
- CAS
14667-53-9- Standard SMILES
C=C(Cl)COP(C)(=S)Oc1ccc([N+](=O)[O-])cc1- InChIKey
RXANTKIKQXIXAB-UHFFFAOYSA-N- Molecular formula
- C10H11ClNO4PS
- Average molar mass
- 307.69 g/mol
- Monoisotopic mass
- 306.9834937
Names & identifiers
- Preferred name
- O-(2-Chloroprop-2-en-1-yl) O-(4-nitrophenyl) methylphosphonothioate
- IUPAC
- 2-chloroprop-2-enoxy-methyl-(4-nitrophenoxy)-sulfanylidene-λ5-phosphane
- English name
- Methylthiophosphonic acid O-(2-chloro-2-propenyl)O-(4-nitrophenyl) ester
- Molecular formula
- C10H11ClNO4PS
- Molecular weight
- 307.69
Names & synonyms
14667-53-9DTXSID00932877o-(2-chloroprop-2-en-1-yl) o-(4-nitrophenyl) methylphosphonothioateRefChem:1093554DTXCID601361556Phosphonothioic acid, methyl-, O-(2-chloro-2-propenyl) O-(4-nitrophenyl) esterMonsanto CP-40272CP 40272ENT 25,785BRN 2001138AI3-25785CP 40272-2
Show more names
CP-40272CP-40272-2Methylthiophosphonic acid O-(2-chloro-2-propenyl)O-(4-nitrophenyl) esterPhosphonothioic acid, methyl-, O-(2-chloro-2-propenyl) O-(4-nitrophenyl) ester (9CI)
O-(2-Chloro-2-propenyl) O-(4-nitrophenyl) methylphosphonothioate2-chloroprop-2-enoxy-methyl-(4-nitrophenoxy)-sulfanylidene-lambda5-phosphanePhosphonothioic acid, methyl-, O-(2-chloroallyl) O-(p-nitrophenyl)ester
Database identifiers
- CAS
14667-53-9- PubChem CID
- 84585
- DTXSID
DTXSID00932877- Nikkaji
- J14.761C
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 96.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 365
Physicochemical properties
- Boiling point
- 140 °C · 140 °C(Press: 0.003 Torr)
- Density
- 1.402 · 1.402±0.06 g/cm3(Predicted)
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Compound notes
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