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Home > Imidazoles > 91248-88-3
91248-88-3 | Phosphonic acid, 1H-benzimidazol-1-yl-, diethyl ester
CAS No: 91248-88-3 Catalog No: AG006PF5 MDL No:
Product Description
Catalog Number:
AG006PF5
Chemical Name:
Phosphonic acid, 1H-benzimidazol-1-yl-, diethyl ester
CAS Number:
91248-88-3
Molecular Formula:
C11H15N2O3P
Molecular Weight:
254.2222
IUPAC Name:
1-diethoxyphosphorylbenzimidazole
InChI:
InChI=1S/C11H15N2O3P/c1-3-15-17(14,16-4-2)13-9-12-10-7-5-6-8-11(10)13/h5-9H,3-4H2,1-2H3
InChI Key:
QNLFBAAOQQBFRH-UHFFFAOYSA-N
SMILES:
CCOP(=O)(n1cnc2c1cccc2)OCC
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.082g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.226g/mol
Monoisotopic Mass:
254.082g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
53.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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