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Home > Indoles and Oxindole > 103836-29-9
103836-29-9 | 2H-Benz[f]isoindole-1-carbonitrile, 2-propyl-
CAS No: 103836-29-9 Catalog No: AG007FR0 MDL No:
Product Description
Catalog Number:
AG007FR0
Chemical Name:
2H-Benz[f]isoindole-1-carbonitrile, 2-propyl-
CAS Number:
103836-29-9
Molecular Formula:
C16H14N2
Molecular Weight:
234.2958
IUPAC Name:
2-propylbenzo[f]isoindole-3-carbonitrile
InChI:
InChI=1S/C16H14N2/c1-2-7-18-11-14-8-12-5-3-4-6-13(12)9-15(14)16(18)10-17/h3-6,8-9,11H,2,7H2,1H3
InChI Key:
SLPYXRISFHLMBH-UHFFFAOYSA-N
SMILES:
CCCn1cc2c(c1C#N)cc1c(c2)cccc1
Properties
Complexity:
342
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.116g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
234.302g/mol
Monoisotopic Mass:
234.116g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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