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Home > Nitro Compounds > 13014-47-6
13014-47-6 | Phosphonic acid, methyl-, hexyl 4-nitrophenyl ester (9CI)
CAS No: 13014-47-6 Catalog No: AG000U23 MDL No:
Product Description
Catalog Number:
AG000U23
Chemical Name:
Phosphonic acid, methyl-, hexyl 4-nitrophenyl ester (9CI)
CAS Number:
13014-47-6
Molecular Formula:
C13H20NO5P
Molecular Weight:
301.2754
IUPAC Name:
1-[hexoxy(methyl)phosphoryl]oxy-4-nitrobenzene
InChI:
InChI=1S/C13H20NO5P/c1-3-4-5-6-11-18-20(2,17)19-13-9-7-12(8-10-13)14(15)16/h7-10H,3-6,11H2,1-2H3
InChI Key:
OAUPLSSHOLTJEY-UHFFFAOYSA-N
SMILES:
CCCCCCOP(=O)(Oc1ccc(cc1)[N+](=O)[O-])C
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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