Organofluorine / Alfa Chemistry
5-Bromo-4-fluoro-1H-benzimidazole

5-Bromo-4-fluoro-1H-benzimidazole

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5-Bromo-4-fluoro-1H-benzimidazole
Catalog OFC1008361725
CAS 1008361-72-5
Category Fluorinated Benzimidazoles
Synonyms 6-Bromo-7-fluoro-1H-benzo[d]imidazole
Purity 95%
MDL Number MFCD22558087
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Other Identifiers Chemical Data Computational Chemistry
IUPAC Name 5-bromo-4-fluoro-1H-benzimidazole
InChI InChI=1S/C7H4BrFN2/c8-4-1-2-5-7(6(4)9)11-3-10-5/h1-3H,(H,10,11)
InChI Key LZMUWVAOXHJEHC-UHFFFAOYSA-N
Isomeric SMILES C1=CC(=C(C2=C1NC=N2)F)Br
EC Number 863-437-3
Molecular Formula C7H4BrFN2
Molecular Weight 215.02
XLogP3-AA 2.3
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 0
Exact Mass 213.95419 g/mol
Monoisotopic Mass 213.95419 g/mol
Topological Polar Surface Area 28.7Ų
Heavy Atom Count 11
Formal Charge 0
Complexity 155

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