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1621-01-8 | 1H-Benzimidazole, 6-chloro-2-[(4-chlorophenoxy)methyl]-
CAS No: 1621-01-8 Catalog No: AG001SR9 MDL No:
Product Description
Catalog Number:
AG001SR9
Chemical Name:
1H-Benzimidazole, 6-chloro-2-[(4-chlorophenoxy)methyl]-
CAS Number:
1621-01-8
Molecular Formula:
C14H10Cl2N2O
Molecular Weight:
293.1480
IUPAC Name:
6-chloro-2-[(4-chlorophenoxy)methyl]-1H-benzimidazole
InChI:
InChI=1S/C14H10Cl2N2O/c15-9-1-4-11(5-2-9)19-8-14-17-12-6-3-10(16)7-13(12)18-14/h1-7H,8H2,(H,17,18)
InChI Key:
AOVFOFHJYXPODM-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)OCc1[nH]c2c(n1)ccc(c2)Cl
Properties
Complexity:
297
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.017g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
293.147g/mol
Monoisotopic Mass:
292.017g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
Literature
| Title | Journal |
|---|---|
| Synthesis and HIV-1 reverse transcriptase inhibitor activity of some 2,5,6-substituted benzoxazole, benzimidazole, benzothiazole and oxazolo(4,5-b)pyridine derivatives. | Arzneimittel-Forschung 20030101 |
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