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41028-74-4 | 5H-Benzimidazole
CAS No: 41028-74-4 Catalog No: AG0073KC MDL No:
Product Description
Catalog Number:
AG0073KC
Chemical Name:
5H-Benzimidazole
CAS Number:
41028-74-4
Molecular Formula:
C7H6N2
Molecular Weight:
118.1359
IUPAC Name:
5H-benzimidazole
InChI:
InChI=1S/C7H6N2/c1-2-4-7-6(3-1)8-5-9-7/h1,3-5H,2H2
InChI Key:
WFQQOWDFMDPMQL-UHFFFAOYSA-N
SMILES:
C1C=CC2=NC=NC2=C1
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
118.053g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
118.139g/mol
Monoisotopic Mass:
118.053g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
24.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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