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18249-68-8 | 1H-Benzimidazole, 2-(5-bromo-2-furanyl)-
CAS No: 18249-68-8 Catalog No: AG0023WZ MDL No:MFCD00453108
Product Description
Catalog Number:
AG0023WZ
Chemical Name:
1H-Benzimidazole, 2-(5-bromo-2-furanyl)-
CAS Number:
18249-68-8
Molecular Formula:
C11H7BrN2O
Molecular Weight:
263.0901
MDL Number:
MFCD00453108
IUPAC Name:
2-(5-bromofuran-2-yl)-1H-benzimidazole
InChI:
InChI=1S/C11H7BrN2O/c12-10-6-5-9(15-10)11-13-7-3-1-2-4-8(7)14-11/h1-6H,(H,13,14)
InChI Key:
MDASWRVQPNUUNC-UHFFFAOYSA-N
SMILES:
Brc1ccc(o1)c1nc2c([nH]1)cccc2
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.974g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
263.094g/mol
Monoisotopic Mass:
261.974g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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