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13275-42-8 | 1H-Benzimidazole, 2-(2-bromophenyl)-
CAS No: 13275-42-8 Catalog No: AG00113Y MDL No:MFCD00449969
Product Description
Catalog Number:
AG00113Y
Chemical Name:
1H-Benzimidazole, 2-(2-bromophenyl)-
CAS Number:
13275-42-8
Molecular Formula:
C13H9BrN2
Molecular Weight:
273.1280
MDL Number:
MFCD00449969
IUPAC Name:
2-(2-bromophenyl)-1H-benzimidazole
InChI:
InChI=1S/C13H9BrN2/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:
KOXRUUGKLDCECO-UHFFFAOYSA-N
SMILES:
Brc1ccccc1c1nc2c([nH]1)cccc2
NSC Number:
128738
Properties
Complexity:
246
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
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