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Home > Indoles and Oxindole > 17380-31-3
17380-31-3 | 1H-Indole-5-carbonitrile, 3-(phenylmethyl)-
CAS No: 17380-31-3 Catalog No: AG001Z81 MDL No:
Product Description
Catalog Number:
AG001Z81
Chemical Name:
1H-Indole-5-carbonitrile, 3-(phenylmethyl)-
CAS Number:
17380-31-3
Molecular Formula:
C16H12N2
Molecular Weight:
232.2799
IUPAC Name:
3-benzyl-1H-indole-5-carbonitrile
InChI:
InChI=1S/C16H12N2/c17-10-13-6-7-16-15(9-13)14(11-18-16)8-12-4-2-1-3-5-12/h1-7,9,11,18H,8H2
InChI Key:
FYYLYGUSDSKOPK-UHFFFAOYSA-N
SMILES:
N#Cc1ccc2c(c1)c(c[nH]2)Cc1ccccc1
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.1g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
232.286g/mol
Monoisotopic Mass:
232.1g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
39.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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