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35731-18-1 | 4H-Naphth[2,3-d]imidazole
CAS No: 35731-18-1 Catalog No: AG0079LJ MDL No:
Product Description
Catalog Number:
AG0079LJ
Chemical Name:
4H-Naphth[2,3-d]imidazole
CAS Number:
35731-18-1
Molecular Formula:
C11H8N2
Molecular Weight:
168.1946
IUPAC Name:
9H-benzo[f]benzimidazole
InChI:
InChI=1S/C11H8N2/c1-2-4-9-6-11-10(12-7-13-11)5-8(9)3-1/h1-5,7H,6H2
InChI Key:
SZNCTJHKIBEVQU-UHFFFAOYSA-N
SMILES:
C1=NC2=Cc3c(CC2=N1)cccc3
Properties
Complexity:
312
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.069g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
168.199g/mol
Monoisotopic Mass:
168.069g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
24.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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