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Home > Nitro Compounds > 13062-13-0
13062-13-0 | Phosphoric acid, methyl 1-methylethyl 4-nitrophenyl ester
CAS No: 13062-13-0 Catalog No: AG000UPE MDL No:
Product Description
Catalog Number:
AG000UPE
Chemical Name:
Phosphoric acid, methyl 1-methylethyl 4-nitrophenyl ester
CAS Number:
13062-13-0
Molecular Formula:
C10H14NO6P
Molecular Weight:
275.1950
IUPAC Name:
tert-butyl (4-nitrophenyl) phosphate
InChI:
InChI=1S/C10H14NO6P/c1-10(2,3)17-18(14,15)16-9-6-4-8(5-7-9)11(12)13/h4-7H,1-3H3,(H,14,15)/p-1
InChI Key:
COUWZINMNAIZPW-UHFFFAOYSA-M
SMILES:
COP(=O)(Oc1ccc(cc1)[N+](=O)[O-])OC(C)C
Properties
Complexity:
331
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.048g/mol
Formal Charge:
-1
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
274.189g/mol
Monoisotopic Mass:
274.048g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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