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210-48-0 | 4,6-Methano-1H-benzimidazole (9CI)
CAS No: 210-48-0 Catalog No: AG002KIQ MDL No:
Product Description
Catalog Number:
AG002KIQ
Chemical Name:
4,6-Methano-1H-benzimidazole (9CI)
CAS Number:
210-48-0
Molecular Formula:
C8H6N2
Molecular Weight:
130.1466
IUPAC Name:
3,5-diazatricyclo[6.1.1.02,6]deca-1,3,6,8-tetraene
InChI:
InChI=1S/C8H6N2/c1-5-2-6(1)8-7(3-5)9-4-10-8/h1,3-4H,2H2,(H,9,10)
InChI Key:
CKANYSIEAFEWDS-UHFFFAOYSA-N
SMILES:
c1nc2c([nH]1)cc1Cc2c1
Properties
Complexity:
157
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
130.053g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
130.15g/mol
Monoisotopic Mass:
130.053g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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