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1741-50-0 | 1H-Benzimidazole, 6-bromo-2-phenyl-
CAS No: 1741-50-0 Catalog No: AG001ZGS MDL No:MFCD09033221
Product Description
Catalog Number:
AG001ZGS
Chemical Name:
1H-Benzimidazole, 6-bromo-2-phenyl-
CAS Number:
1741-50-0
Molecular Formula:
C13H9BrN2
Molecular Weight:
273.1280
MDL Number:
MFCD09033221
IUPAC Name:
6-bromo-2-phenyl-1H-benzimidazole
InChI:
InChI=1S/C13H9BrN2/c14-10-6-7-11-12(8-10)16-13(15-11)9-4-2-1-3-5-9/h1-8H,(H,15,16)
InChI Key:
GVFCYTFUNNARML-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)[nH]c(n2)c1ccccc1
Properties
Complexity:
240
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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