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112177-31-8 | [4-(3-Quinolinyl)phenyl]acetonitrile
CAS No: 112177-31-8 Catalog No: AG01FDB9 MDL No:
Product Description
Catalog Number:
AG01FDB9
Chemical Name:
[4-(3-Quinolinyl)phenyl]acetonitrile
CAS Number:
112177-31-8
Molecular Formula:
C17H12N2
Molecular Weight:
244.2906
IUPAC Name:
2-(4-quinolin-3-ylphenyl)acetonitrile
InChI:
InChI=1S/C17H12N2/c18-10-9-13-5-7-14(8-6-13)16-11-15-3-1-2-4-17(15)19-12-16/h1-8,11-12H,9H2
InChI Key:
XNBTVGPYTGPQSX-UHFFFAOYSA-N
SMILES:
N#CCc1ccc(cc1)c1cnc2c(c1)cccc2
Properties
Complexity:
334
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.1g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.297g/mol
Monoisotopic Mass:
244.1g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
36.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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