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Home > Nitro Compounds > 18302-96-0
18302-96-0 | Phosphonothioic acid, methyl-, O-ethyl O-(4-nitrophenyl) ester (9CI)
CAS No: 18302-96-0 Catalog No: AG0024CY MDL No:
Product Description
Catalog Number:
AG0024CY
Chemical Name:
Phosphonothioic acid, methyl-, O-ethyl O-(4-nitrophenyl) ester (9CI)
CAS Number:
18302-96-0
Molecular Formula:
C9H12NO4PS
Molecular Weight:
261.2346
IUPAC Name:
ethoxy-methyl-(4-nitrophenoxy)-sulfanylidene-λ5-phosphane
InChI:
InChI=1S/C9H12NO4PS/c1-3-13-15(2,16)14-9-6-4-8(5-7-9)10(11)12/h4-7H,3H2,1-2H3
InChI Key:
VYHFGLKCTXBPPZ-UHFFFAOYSA-N
SMILES:
CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])C
NSC Number:
202902
Properties
Complexity:
286
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.022g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
261.232g/mol
Monoisotopic Mass:
261.022g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
96.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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