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Home > Nitro Compounds > 57856-21-0
57856-21-0 | Phenylphosphonothioic acid O-(2-nitrophenyl)O-ethyl ester
CAS No: 57856-21-0 Catalog No: AG00F1F7 MDL No:
Product Description
Catalog Number:
AG00F1F7
Chemical Name:
Phenylphosphonothioic acid O-(2-nitrophenyl)O-ethyl ester
CAS Number:
57856-21-0
IUPAC Name:
ethoxy-(2-nitrophenoxy)-phenyl-sulfanylidene-λ5-phosphane
InChI:
InChI=1S/C14H14NO4PS/c1-2-18-20(21,12-8-4-3-5-9-12)19-14-11-7-6-10-13(14)15(16)17/h3-11H,2H2,1H3
InChI Key:
QFIIQNTUZPMZGP-UHFFFAOYSA-N
Properties
Complexity:
395
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.038g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
323.303g/mol
Monoisotopic Mass:
323.038g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
96.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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