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Home > Aldehydes > 118469-08-2
118469-08-2 | 1H-Benzimidazole-2-carboxaldehyde,1-(fluoromethyl)-(9CI)
CAS No: 118469-08-2 Catalog No: AG009112 MDL No:
Product Description
Catalog Number:
AG009112
Chemical Name:
1H-Benzimidazole-2-carboxaldehyde,1-(fluoromethyl)-(9CI)
CAS Number:
118469-08-2
Molecular Formula:
C9H7FN2O
Molecular Weight:
178.1631
IUPAC Name:
1-(fluoromethyl)benzimidazole-2-carbaldehyde
InChI:
InChI=1S/C9H7FN2O/c10-6-12-8-4-2-1-3-7(8)11-9(12)5-13/h1-5H,6H2
InChI Key:
VTQOBFGEGKBEAK-UHFFFAOYSA-N
SMILES:
O=Cc1nc2c(n1CF)cccc2
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.054g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.166g/mol
Monoisotopic Mass:
178.054g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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