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Home > Nitro Compounds > 21070-22-4
21070-22-4 | Phosphonic acid, methyl-, 2-(4-methoxyphenyl)-2-oxoethyl 4-nitrophenyl ester (9CI)
CAS No: 21070-22-4 Catalog No: AG002KXJ MDL No:
Product Description
Catalog Number:
AG002KXJ
Chemical Name:
Phosphonic acid, methyl-, 2-(4-methoxyphenyl)-2-oxoethyl 4-nitrophenyl ester (9CI)
CAS Number:
21070-22-4
Molecular Formula:
C16H16NO7P
Molecular Weight:
365.2745
IUPAC Name:
1-(4-methoxyphenyl)-2-[methyl-(4-nitrophenoxy)phosphoryl]oxyethanone
InChI:
InChI=1S/C16H16NO7P/c1-22-14-7-3-12(4-8-14)16(18)11-23-25(2,21)24-15-9-5-13(6-10-15)17(19)20/h3-10H,11H2,1-2H3
InChI Key:
CXUJPWFLLYPAPA-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C(=O)COP(=O)(Oc1ccc(cc1)[N+](=O)[O-])C
Properties
Complexity:
505
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
365.066g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
365.278g/mol
Monoisotopic Mass:
365.066g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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