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2622-74-4 | 1H-Benzimidazole, 2-(4-bromophenyl)-
CAS No: 2622-74-4 Catalog No: AG002SC5 MDL No:MFCD00224360
Product Description
Catalog Number:
AG002SC5
Chemical Name:
1H-Benzimidazole, 2-(4-bromophenyl)-
CAS Number:
2622-74-4
Molecular Formula:
C13H9BrN2
Molecular Weight:
273.1280
MDL Number:
MFCD00224360
IUPAC Name:
2-(4-bromophenyl)-1H-benzimidazole
InChI:
InChI=1S/C13H9BrN2/c14-10-7-5-9(6-8-10)13-15-11-3-1-2-4-12(11)16-13/h1-8H,(H,15,16)
InChI Key:
YRWMGOSKROWAIT-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)c1nc2c([nH]1)cccc2
NSC Number:
144032
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.995g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
273.133g/mol
Monoisotopic Mass:
271.995g/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 |
|---|---|
| Vibrational spectra and DFT study of anticancer active molecule 2-(4-Bromophenyl)-1H-benzimidazole by normal coordinate analysis. | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20110101 |
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