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Home > Nitro Compounds > 259827-72-0
259827-72-0 | Phosphonic acid, hexyl-, methyl 4-nitrophenyl ester
CAS No: 259827-72-0 Catalog No: AG00I4Y8 MDL No:
Product Description
Catalog Number:
AG00I4Y8
Chemical Name:
Phosphonic acid, hexyl-, methyl 4-nitrophenyl ester
CAS Number:
259827-72-0
IUPAC Name:
1-[hexyl(methoxy)phosphoryl]oxy-4-nitrobenzene
InChI:
InChI=1S/C13H20NO5P/c1-3-4-5-6-11-20(17,18-2)19-13-9-7-12(8-10-13)14(15)16/h7-10H,3-6,11H2,1-2H3
InChI Key:
RMJQAOXPKANPMM-UHFFFAOYSA-N
Properties
Complexity:
336
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.108g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
301.279g/mol
Monoisotopic Mass:
301.108g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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