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116274-62-5 | 1-Naphthalenamine, 2-(1H-benzimidazol-2-yl)-
CAS No: 116274-62-5 Catalog No: AG000C38 MDL No:
Product Description
Catalog Number:
AG000C38
Chemical Name:
1-Naphthalenamine, 2-(1H-benzimidazol-2-yl)-
CAS Number:
116274-62-5
Molecular Formula:
C17H13N3
Molecular Weight:
259.3052
IUPAC Name:
2-(1H-benzimidazol-2-yl)naphthalen-1-amine
InChI:
InChI=1S/C17H13N3/c18-16-12-6-2-1-5-11(12)9-10-13(16)17-19-14-7-3-4-8-15(14)20-17/h1-10H,18H2,(H,19,20)
InChI Key:
XJYSLULVFOUJDC-UHFFFAOYSA-N
SMILES:
Nc1c(ccc2c1cccc2)c1nc2c([nH]1)cccc2
Properties
Complexity:
345
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.111g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
259.312g/mol
Monoisotopic Mass:
259.111g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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