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Home > Aldehydes > 199594-83-7
199594-83-7 | 1H-Benzimidazole-2-carboxaldehyde, 1-[(2,6-difluorophenyl)methyl]-4-methyl-
CAS No: 199594-83-7 Catalog No: AG002C7I MDL No:
Product Description
Catalog Number:
AG002C7I
Chemical Name:
1H-Benzimidazole-2-carboxaldehyde, 1-[(2,6-difluorophenyl)methyl]-4-methyl-
CAS Number:
199594-83-7
Molecular Formula:
C16H12F2N2O
Molecular Weight:
286.2761
IUPAC Name:
1-[(2,6-difluorophenyl)methyl]-4-methylbenzimidazole-2-carbaldehyde
InChI:
InChI=1S/C16H12F2N2O/c1-10-4-2-7-14-16(10)19-15(9-21)20(14)8-11-12(17)5-3-6-13(11)18/h2-7,9H,8H2,1H3
InChI Key:
CFJPQJGZSJYYIE-UHFFFAOYSA-N
SMILES:
O=Cc1nc2c(n1Cc1c(F)cccc1F)cccc2C
Properties
Complexity:
371
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.092g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
286.282g/mol
Monoisotopic Mass:
286.092g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
Literature
| Title | Journal |
|---|---|
| Synthesis and biological activity of novel nonnucleoside inhibitors of HIV-1 reverse transcriptase. 2-Aryl-substituted benzimidazoles. | Journal of medicinal chemistry 19971219 |
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