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85749-95-7 | 3-Quinolinecarbonitrile, 1,2-dihydro-1-(phenylmethyl)-
CAS No: 85749-95-7 Catalog No: AG008GQU MDL No:
Product Description
Catalog Number:
AG008GQU
Chemical Name:
3-Quinolinecarbonitrile, 1,2-dihydro-1-(phenylmethyl)-
CAS Number:
85749-95-7
Molecular Formula:
C17H14N2
Molecular Weight:
246.3065
IUPAC Name:
1-benzyl-2H-quinoline-3-carbonitrile
InChI:
InChI=1S/C17H14N2/c18-11-15-10-16-8-4-5-9-17(16)19(13-15)12-14-6-2-1-3-7-14/h1-10H,12-13H2
InChI Key:
MFHVDCQTINEIRL-UHFFFAOYSA-N
SMILES:
N#CC1=Cc2c(N(C1)Cc1ccccc1)cccc2
Properties
Complexity:
383
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.116g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.313g/mol
Monoisotopic Mass:
246.116g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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