2-(4-Chloro-3-methylphenoxy)-2,3-dihydro(1H)naphtho[1,8-de]-1,3,2-diazaphosphorine 2-oxide
Basic information
- CAS
53596-32-0- Standard SMILES
Cc1cc(OP2(=O)Nc3cccc4cccc(c34)N2)ccc1Cl- InChIKey
PHVANJRDFRMFSL-UHFFFAOYSA-N- Molecular formula
- C17H14ClN2O2P
- Average molar mass
- 344.7 g/mol
- Monoisotopic mass
- 344.0481424
Names & identifiers
- Preferred name
- 2-(4-Chloro-3-methylphenoxy)-2,3-dihydro(1H)naphtho[1,8-de]-1,3,2-diazaphosphorine 2-oxide
- IUPAC
- 3-(4-chloro-3-methylphenoxy)-2,4-diaza-3λ5-phosphatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene 3-oxide
Names & synonyms
NSC33299353596-32-0DTXSID30318605PHVANJRDFRMFSL-UHFFFAOYSA-NNSC-3329932-(4-Chloro-3-methylphenoxy)-2,3-dihydro(1H)naphtho[1,8-de]-1,3,2-diazaphosphorine 2-oxide2-(4-Chloro-3-methylphenoxy)-2,3-dihydro-1H-2lambda~5~-naphtho[1,8-de][1,3,2]diazaphosphinin-2-one2-(4-Chloro-3-methylphenoxy)-2,3-dihydro-1H-naphtho(1,8-de)-1,3,2-diazaphosphorine 2-oxide2-(4-Chloro-3-methylphenoxy)-2,3-dihydro-1H-naphtho[1,8-de][1,3,2]diazaphosphinine 2-oxide #
Database identifiers
- CAS
53596-32-0- PubChem CID
- 333087
- DTXSID
DTXSID30318605
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 50.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 467
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Compound notes
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