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Home > Nitro Compounds > 167700-91-6
167700-91-6 | Phosphonochloridic acid, [(4-nitrophenyl)methyl]-, methyl ester (9CI)
CAS No: 167700-91-6 Catalog No: AG001XK5 MDL No:
Product Description
Catalog Number:
AG001XK5
Chemical Name:
Phosphonochloridic acid, [(4-nitrophenyl)methyl]-, methyl ester (9CI)
CAS Number:
167700-91-6
Molecular Formula:
C8H9ClNO4P
Molecular Weight:
249.5881
IUPAC Name:
1-[[chloro(methoxy)phosphoryl]methyl]-4-nitrobenzene
InChI:
InChI=1S/C8H9ClNO4P/c1-14-15(9,13)6-7-2-4-8(5-3-7)10(11)12/h2-5H,6H2,1H3
InChI Key:
SYTIGHYCIOAIOL-UHFFFAOYSA-N
SMILES:
COP(=O)(Cc1ccc(cc1)[N+](=O)[O-])Cl
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.996g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.587g/mol
Monoisotopic Mass:
248.996g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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