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83330-28-3 | 1H-Benzimidazole,2-(2-furanyl)-5-methyl-(9CI)
CAS No: 83330-28-3 Catalog No: AG00GQTI MDL No:MFCD03779936
Product Description
Catalog Number:
AG00GQTI
Chemical Name:
1H-Benzimidazole,2-(2-furanyl)-5-methyl-(9CI)
CAS Number:
83330-28-3
Molecular Formula:
C12H10N2O
Molecular Weight:
198.2206
MDL Number:
MFCD03779936
IUPAC Name:
2-(furan-2-yl)-6-methyl-1H-benzimidazole
InChI:
InChI=1S/C12H10N2O/c1-8-4-5-9-10(7-8)14-12(13-9)11-3-2-6-15-11/h2-7H,1H3,(H,13,14)
InChI Key:
SQVLGUPUTLPOAE-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)nc([nH]2)c1ccco1
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.079g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
198.225g/mol
Monoisotopic Mass:
198.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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