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18123-87-0 | Phosphoric acid, monobutyl mono(4-nitrophenyl) ester
CAS No: 18123-87-0 Catalog No: AG0022RC MDL No:
Product Description
Catalog Number:
AG0022RC
Chemical Name:
Phosphoric acid, monobutyl mono(4-nitrophenyl) ester
CAS Number:
18123-87-0
Molecular Formula:
C10H13NO6P-
Molecular Weight:
274.1871
IUPAC Name:
butyl (4-nitrophenyl) phosphate
InChI:
InChI=1S/C10H14NO6P/c1-2-3-8-16-18(14,15)17-10-6-4-9(5-7-10)11(12)13/h4-7H,2-3,8H2,1H3,(H,14,15)/p-1
InChI Key:
UGINGUPXPUTKOU-UHFFFAOYSA-M
SMILES:
CCCCOP(=O)(Oc1ccc(cc1)[N+](=O)[O-])[O-]
Properties
Complexity:
302
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:
6
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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