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Home > Aldehydes > 106996-79-6
106996-79-6 | 2-Furancarboxaldehyde, 5-(5-fluoro-1H-benzimidazol-2-yl)-
CAS No: 106996-79-6 Catalog No: AG0082QT MDL No:
Product Description
Catalog Number:
AG0082QT
Chemical Name:
2-Furancarboxaldehyde, 5-(5-fluoro-1H-benzimidazol-2-yl)-
CAS Number:
106996-79-6
Molecular Formula:
C12H7FN2O2
Molecular Weight:
230.1946
IUPAC Name:
5-(6-fluoro-1H-benzimidazol-2-yl)furan-2-carbaldehyde
InChI:
InChI=1S/C12H7FN2O2/c13-7-1-3-9-10(5-7)15-12(14-9)11-4-2-8(6-16)17-11/h1-6H,(H,14,15)
InChI Key:
PMYRTFWJZCLGHQ-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(o1)c1nc2c([nH]1)ccc(c2)F
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.049g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
230.198g/mol
Monoisotopic Mass:
230.049g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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