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Home > Nitro Compounds > 88239-48-9
88239-48-9 | Phosphonothioic acid, phenyl-, O-butyl O-(4-nitrophenyl) ester
CAS No: 88239-48-9 Catalog No: AG004AU8 MDL No:
Product Description
Catalog Number:
AG004AU8
Chemical Name:
Phosphonothioic acid, phenyl-, O-butyl O-(4-nitrophenyl) ester
CAS Number:
88239-48-9
Molecular Formula:
C16H18NO4PS
Molecular Weight:
351.3572
IUPAC Name:
butoxy-(4-nitrophenoxy)-phenyl-sulfanylidene-λ5-phosphane
InChI:
InChI=1S/C16H18NO4PS/c1-2-3-13-20-22(23,16-7-5-4-6-8-16)21-15-11-9-14(10-12-15)17(18)19/h4-12H,2-3,13H2,1H3
InChI Key:
HMWJIICUNQLHKP-UHFFFAOYSA-N
SMILES:
CCCCOP(=S)(c1ccccc1)Oc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
415
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:
7
Topological Polar Surface Area:
96.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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