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Home > Nitro Compounds > 71002-67-0
71002-67-0 | Phosphonic acid,P-ethyl-, butyl 4-nitrophenyl ester
CAS No: 71002-67-0 Catalog No: AG005F57 MDL No:
Product Description
Catalog Number:
AG005F57
Chemical Name:
Phosphonic acid,P-ethyl-, butyl 4-nitrophenyl ester
CAS Number:
71002-67-0
Molecular Formula:
C12H18NO5P
Molecular Weight:
287.2488
IUPAC Name:
1-[butoxy(ethyl)phosphoryl]oxy-4-nitrobenzene
InChI:
InChI=1S/C12H18NO5P/c1-3-5-10-17-19(16,4-2)18-12-8-6-11(7-9-12)13(14)15/h6-9H,3-5,10H2,1-2H3
InChI Key:
IDBGACONKGMGDO-UHFFFAOYSA-N
SMILES:
CCP(=O)(Oc1ccc(cc1)[N+](=O)[O-])OCCCC
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.092g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
287.252g/mol
Monoisotopic Mass:
287.092g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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