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Home > Nitro Compounds > 63980-88-1
63980-88-1 | Thiophosphoric acid O-ethyl O-isopropyl O-(2-nitro-5-methylphenyl) ester
CAS No: 63980-88-1 Catalog No: AG00F6K3 MDL No:
Product Description
Catalog Number:
AG00F6K3
Chemical Name:
Thiophosphoric acid O-ethyl O-isopropyl O-(2-nitro-5-methylphenyl) ester
CAS Number:
63980-88-1
IUPAC Name:
ethoxy-(5-methyl-2-nitrophenoxy)-propan-2-yloxy-sulfidophosphanium
InChI:
InChI=1S/C12H18NO5PS/c1-5-16-19(20,17-9(2)3)18-12-8-10(4)6-7-11(12)13(14)15/h6-9H,5H2,1-4H3
InChI Key:
ZCTZJLMPWNJTFU-UHFFFAOYSA-N
Properties
Complexity:
328
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.064g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
319.312g/mol
Monoisotopic Mass:
319.064g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
74.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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