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21070-23-5 | Phosphonic acid, methyl-, 2-(4-chlorophenyl)-2-oxoethyl 4-nitrophenyl ester (9CI)
CAS No: 21070-23-5 Catalog No: AG002KXI MDL No:
Product Description
Catalog Number:
AG002KXI
Chemical Name:
Phosphonic acid, methyl-, 2-(4-chlorophenyl)-2-oxoethyl 4-nitrophenyl ester (9CI)
CAS Number:
21070-23-5
Molecular Formula:
C15H13ClNO6P
Molecular Weight:
369.6936
IUPAC Name:
1-(4-chlorophenyl)-2-[methyl-(4-nitrophenoxy)phosphoryl]oxyethanone
InChI:
InChI=1S/C15H13ClNO6P/c1-24(21,23-14-8-6-13(7-9-14)17(19)20)22-10-15(18)11-2-4-12(16)5-3-11/h2-9H,10H2,1H3
InChI Key:
CNYZNXDOUMMOLA-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)C(=O)COP(=O)(Oc1ccc(cc1)[N+](=O)[O-])C
Properties
Complexity:
495
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
369.017g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
369.694g/mol
Monoisotopic Mass:
369.017g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
98.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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