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233-53-4 | 1H-Naphth[1,2-d]imidazole
CAS No: 233-53-4 Catalog No: AG002MTT MDL No:
Product Description
Catalog Number:
AG002MTT
Chemical Name:
1H-Naphth[1,2-d]imidazole
CAS Number:
233-53-4
Molecular Formula:
C11H8N2
Molecular Weight:
168.1946
IUPAC Name:
3H-benzo[e]benzimidazole
InChI:
InChI=1S/C11H8N2/c1-2-4-9-8(3-1)5-6-10-11(9)13-7-12-10/h1-7H,(H,12,13)
InChI Key:
HCCNHYWZYYIOFM-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)c1[nH]cnc1cc2
NSC Number:
14306
Properties
Complexity:
193
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:
1
Isotope Atom Count:
0
Molecular Weight:
168.199g/mol
Monoisotopic Mass:
168.069g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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