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96014-87-8 | Benzonitrile, 2-(2,3-dihydro-5-methyl-1H-indol-1-yl)-
CAS No: 96014-87-8 Catalog No: AG0069LO MDL No:
Product Description
Catalog Number:
AG0069LO
Chemical Name:
Benzonitrile, 2-(2,3-dihydro-5-methyl-1H-indol-1-yl)-
CAS Number:
96014-87-8
Molecular Formula:
C16H14N2
Molecular Weight:
234.2958
IUPAC Name:
2-(5-methyl-2,3-dihydroindol-1-yl)benzonitrile
InChI:
InChI=1S/C16H14N2/c1-12-6-7-16-13(10-12)8-9-18(16)15-5-3-2-4-14(15)11-17/h2-7,10H,8-9H2,1H3
InChI Key:
LXPLWGCNDZQZGR-UHFFFAOYSA-N
SMILES:
N#Cc1ccccc1N1CCc2c1ccc(c2)C
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:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
234.302g/mol
Monoisotopic Mass:
234.116g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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