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Home > Nitro Compounds > 13286-40-3
13286-40-3 | Phosphorodithioic acid, O,O-diethyl S-(m-nitrobenzyl) ester (7CI,8CI)
CAS No: 13286-40-3 Catalog No: AG0011A3 MDL No:
Product Description
Catalog Number:
AG0011A3
Chemical Name:
Phosphorodithioic acid, O,O-diethyl S-(m-nitrobenzyl) ester (7CI,8CI)
CAS Number:
13286-40-3
Molecular Formula:
C11H16NO4PS2
Molecular Weight:
321.3528
IUPAC Name:
diethoxy-[(3-nitrophenyl)methylsulfanyl]-sulfanylidene-λ5-phosphane
InChI:
InChI=1S/C11H16NO4PS2/c1-3-15-17(18,16-4-2)19-9-10-6-5-7-11(8-10)12(13)14/h5-8H,3-4,9H2,1-2H3
InChI Key:
MIFPMXSEMTYMRE-UHFFFAOYSA-N
SMILES:
CCOP(=S)(SCc1cccc(c1)[N+](=O)[O-])OCC
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.026g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
321.346g/mol
Monoisotopic Mass:
321.026g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
122A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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