Phosphoramidic acid, methyl-, 2-chloro-4-t-pentylphenyl methyl ester
Basic information
- CAS
4492-96-0- Standard SMILES
CCC(C)(C)c1ccc(OP(=O)(NC)OC)c(Cl)c1- InChIKey
QSXWTGFXQDSZDO-UHFFFAOYSA-N- Molecular formula
- C13H21ClNO3P
- Average molar mass
- 305.74 g/mol
- Monoisotopic mass
- 305.0947582
Names & identifiers
- Preferred name
- Phosphoramidic acid, methyl-, 2-chloro-4-t-pentylphenyl methyl ester
- IUPAC
- N-[[2-chloro-4-(2-methylbutan-2-yl)phenoxy]-methoxyphosphoryl]methanamine
Names & synonyms
4492-96-0Phosphoramidic acid, methyl-, 2-chloro-4-t-pentylphenyl methyl esterRefChem:1095296Dowco-183ENT 27,192Phosphoramidic acid, methyl-, 2-chloro-4-(1,1-dimethylpropyl)phenyl methyl esterAI3-271922-Chloro-4-(1,1-dimethylpropyl)phenyl methyl methylphosphoramidateDTXSID209633052-Chloro-4-(2-methylbutan-2-yl)phenyl methyl N-methylphosphoramidate
Database identifiers
- CAS
4492-96-0- PubChem CID
- 78244
- DTXSID
DTXSID20963305
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 47.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 338
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Compound notes
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