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Home > Nitro Compounds > 122608-35-9
122608-35-9 | Phosphonothioic acid, phenyl-, S-butyl O-(4-nitrophenyl) ester (9CI)
CAS No: 122608-35-9 Catalog No: AG0017JQ MDL No:
Product Description
Catalog Number:
AG0017JQ
Chemical Name:
Phosphonothioic acid, phenyl-, S-butyl O-(4-nitrophenyl) ester (9CI)
CAS Number:
122608-35-9
Molecular Formula:
C16H18NO4PS
Molecular Weight:
351.3572
IUPAC Name:
butan-2-yloxy-(4-nitrophenoxy)-phenyl-sulfanylidene-λ5-phosphane
InChI:
InChI=1S/C16H18NO4PS/c1-3-13(2)20-22(23,16-7-5-4-6-8-16)21-15-11-9-14(10-12-15)17(18)19/h4-13H,3H2,1-2H3
InChI Key:
AKUOMIUAXZCKHS-UHFFFAOYSA-N
SMILES:
CCCCSP(=O)(c1ccccc1)Oc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
428
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
351.069g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
351.357g/mol
Monoisotopic Mass:
351.069g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
96.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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