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Home > Nitro Compounds > 7284-56-2
7284-56-2 | Phosphonic acid, methyl-, cyclohexyl 4-nitrophenyl ester
CAS No: 7284-56-2 Catalog No: AG005OO4 MDL No:
Product Description
Catalog Number:
AG005OO4
Chemical Name:
Phosphonic acid, methyl-, cyclohexyl 4-nitrophenyl ester
CAS Number:
7284-56-2
Molecular Formula:
C13H18NO5P
Molecular Weight:
299.2595
IUPAC Name:
1-[cyclohexyloxy(methyl)phosphoryl]oxy-4-nitrobenzene
InChI:
InChI=1S/C13H18NO5P/c1-20(17,18-12-5-3-2-4-6-12)19-13-9-7-11(8-10-13)14(15)16/h7-10,12H,2-6H2,1H3
InChI Key:
JWRUJPIMPZQGPZ-UHFFFAOYSA-N
SMILES:
CP(=O)(Oc1ccc(cc1)[N+](=O)[O-])OC1CCCCC1
Properties
Complexity:
369
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.092g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
299.263g/mol
Monoisotopic Mass:
299.092g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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