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3574-96-7 | Chlorfenazole
CAS No: 3574-96-7 Catalog No: AG003OS8 MDL No:MFCD00051632
Product Description
Catalog Number:
AG003OS8
Chemical Name:
Chlorfenazole
CAS Number:
3574-96-7
Molecular Formula:
C13H9ClN2
Molecular Weight:
228.6770
MDL Number:
MFCD00051632
IUPAC Name:
2-(2-chlorophenyl)-1H-benzimidazole
InChI:
InChI=1S/C13H9ClN2/c14-10-6-2-1-5-9(10)13-15-11-7-3-4-8-12(11)16-13/h1-8H,(H,15,16)
InChI Key:
OILIYWFQRJOPAI-UHFFFAOYSA-N
SMILES:
Clc1ccccc1c1nc2c([nH]1)cccc2
UNII:
RT668W2SVP
NSC Number:
128751
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.045g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
228.679g/mol
Monoisotopic Mass:
228.045g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
Literature
| Title | Journal |
|---|---|
| Synthesis and QSAR evaluation of 2-(substituted phenyl)-1H-benzimidazoles and [2-(substituted phenyl)-benzimidazol-1-yl]-pyridin-3-yl-methanones. | European journal of medicinal chemistry 20090301 |
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