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926756-91-4 | 4-(2,3-dihydro-1H-indol-1-ylmethyl)benzonitrile
CAS No: 926756-91-4 Catalog No: AG019MRG MDL No:MFCD09104645
Product Description
Catalog Number:
AG019MRG
Chemical Name:
4-(2,3-dihydro-1H-indol-1-ylmethyl)benzonitrile
CAS Number:
926756-91-4
Molecular Formula:
C16H14N2
Molecular Weight:
234.2958
MDL Number:
MFCD09104645
IUPAC Name:
4-(2,3-dihydroindol-1-ylmethyl)benzonitrile
InChI:
InChI=1S/C16H14N2/c17-11-13-5-7-14(8-6-13)12-18-10-9-15-3-1-2-4-16(15)18/h1-8H,9-10,12H2
InChI Key:
YVXHIPNBXNGHNZ-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)CN1CCc2c1cccc2
Properties
Complexity:
321
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:
2
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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