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Home > Nitro Compounds > 13955-12-9
13955-12-9 | Phosphorothioic acid, O-methyl O-(1-methylethyl) O-(4-nitrophenyl) ester
CAS No: 13955-12-9 Catalog No: AG001B95 MDL No:
Product Description
Catalog Number:
AG001B95
Chemical Name:
Phosphorothioic acid, O-methyl O-(1-methylethyl) O-(4-nitrophenyl) ester
CAS Number:
13955-12-9
Molecular Formula:
C10H14NO5PS
Molecular Weight:
291.2606
IUPAC Name:
methoxy-(4-nitrophenoxy)-propan-2-yloxy-sulfanylidene-λ5-phosphane
InChI:
InChI=1S/C10H14NO5PS/c1-8(2)15-17(18,14-3)16-10-6-4-9(5-7-10)11(12)13/h4-8H,1-3H3
InChI Key:
IDTURXUOVKNCOM-UHFFFAOYSA-N
SMILES:
COP(=S)(Oc1ccc(cc1)[N+](=O)[O-])OC(C)C
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.033g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
291.258g/mol
Monoisotopic Mass:
291.033g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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