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89634-65-1 | 1H-Benzimidazole-2-carboxaldehyde, 5-(3-pyridinylmethyl)-
CAS No: 89634-65-1 Catalog No: AG003W90 MDL No:
Product Description
Catalog Number:
AG003W90
Chemical Name:
1H-Benzimidazole-2-carboxaldehyde, 5-(3-pyridinylmethyl)-
CAS Number:
89634-65-1
Molecular Formula:
C14H11N3O
Molecular Weight:
237.2566
IUPAC Name:
6-(pyridin-3-ylmethyl)-1H-benzimidazole-2-carbaldehyde
InChI:
InChI=1S/C14H11N3O/c18-9-14-16-12-4-3-10(7-13(12)17-14)6-11-2-1-5-15-8-11/h1-5,7-9H,6H2,(H,16,17)
InChI Key:
ZGOISIVITVYZHS-UHFFFAOYSA-N
SMILES:
O=Cc1[nH]c2c(n1)cc(cc2)Cc1cccnc1
Properties
Complexity:
297
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.09g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
237.262g/mol
Monoisotopic Mass:
237.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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