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123995-39-1 | 5-(1H-1,3-benzodiazol-2-yl)quinoline
CAS No: 123995-39-1 Catalog No: AG019SB3 MDL No:MFCD18030739
Product Description
Catalog Number:
AG019SB3
Chemical Name:
5-(1H-1,3-benzodiazol-2-yl)quinoline
CAS Number:
123995-39-1
Molecular Formula:
C16H11N3
Molecular Weight:
245.2786
MDL Number:
MFCD18030739
IUPAC Name:
5-(1H-benzimidazol-2-yl)quinoline
InChI:
InChI=1S/C16H11N3/c1-2-8-15-14(7-1)18-16(19-15)12-5-3-9-13-11(12)6-4-10-17-13/h1-10H,(H,18,19)
InChI Key:
HFLKQSFLJVLFDN-UHFFFAOYSA-N
SMILES:
c1cnc2c(c1)c(ccc2)c1nc2c([nH]1)cccc2
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.095g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
245.285g/mol
Monoisotopic Mass:
245.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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