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Home > Nitro Compounds > 13062-15-2
13062-15-2 | Phosphoric acid, ethyl 1-methylethyl 4-nitrophenyl ester
CAS No: 13062-15-2 Catalog No: AG000UPD MDL No:
Product Description
Catalog Number:
AG000UPD
Chemical Name:
Phosphoric acid, ethyl 1-methylethyl 4-nitrophenyl ester
CAS Number:
13062-15-2
Molecular Formula:
C11H16NO6P
Molecular Weight:
289.2216
IUPAC Name:
2-methylbutan-2-yl (4-nitrophenyl) phosphate
InChI:
InChI=1S/C11H16NO6P/c1-4-11(2,3)18-19(15,16)17-10-7-5-9(6-8-10)12(13)14/h5-8H,4H2,1-3H3,(H,15,16)/p-1
InChI Key:
PUJJMNXQQDTYDE-UHFFFAOYSA-M
SMILES:
CCOP(=O)(Oc1ccc(cc1)[N+](=O)[O-])OC(C)C
Properties
Complexity:
350
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.064g/mol
Formal Charge:
-1
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
288.216g/mol
Monoisotopic Mass:
288.064g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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