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Home > Nitro Compounds > 19821-06-8
19821-06-8 | Phosphorodithioic acid, O,O-diethyl S-(4-nitrophenyl) ester
CAS No: 19821-06-8 Catalog No: AG002BD3 MDL No:
Product Description
Catalog Number:
AG002BD3
Chemical Name:
Phosphorodithioic acid, O,O-diethyl S-(4-nitrophenyl) ester
CAS Number:
19821-06-8
Molecular Formula:
C10H14NO4PS2
Molecular Weight:
307.3262
IUPAC Name:
diethoxy-(4-nitrophenyl)sulfanyl-sulfanylidene-λ5-phosphane
InChI:
InChI=1S/C10H14NO4PS2/c1-3-14-16(17,15-4-2)18-10-7-5-9(6-8-10)11(12)13/h5-8H,3-4H2,1-2H3
InChI Key:
CBNFNKWKGZYTCK-UHFFFAOYSA-N
SMILES:
CCOP(=S)(Sc1ccc(cc1)[N+](=O)[O-])OCC
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.01g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
307.319g/mol
Monoisotopic Mass:
307.01g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
122A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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