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Home > Imidazoles > 89596-31-6
89596-31-6 | Phosphoric acid, 1-ethyl-1H-benzimidazol-2-yl diphenyl ester
CAS No: 89596-31-6 Catalog No: AG003YU9 MDL No:
Product Description
Catalog Number:
AG003YU9
Chemical Name:
Phosphoric acid, 1-ethyl-1H-benzimidazol-2-yl diphenyl ester
CAS Number:
89596-31-6
Molecular Formula:
C21H19N2O4P
Molecular Weight:
394.3603
IUPAC Name:
(1-ethylbenzimidazol-2-yl) diphenyl phosphate
InChI:
InChI=1S/C21H19N2O4P/c1-2-23-20-16-10-9-15-19(20)22-21(23)27-28(24,25-17-11-5-3-6-12-17)26-18-13-7-4-8-14-18/h3-16H,2H2,1H3
InChI Key:
HEZDRORVNBRWAJ-UHFFFAOYSA-N
SMILES:
CCn1c(nc2c1cccc2)OP(=O)(Oc1ccccc1)Oc1ccccc1
Properties
Complexity:
513
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
394.108g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
394.367g/mol
Monoisotopic Mass:
394.108g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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