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Home > Indoles and Oxindole > 893733-93-2
893733-93-2 | 3-(3-Formyl-1H-indol-5-yl)benzonitrile
CAS No: 893733-93-2 Catalog No: AG01EYK1 MDL No:
Product Description
Catalog Number:
AG01EYK1
Chemical Name:
3-(3-Formyl-1H-indol-5-yl)benzonitrile
CAS Number:
893733-93-2
Molecular Formula:
C16H10N2O
Molecular Weight:
246.2634
IUPAC Name:
3-(3-formyl-1H-indol-5-yl)benzonitrile
InChI:
InChI=1S/C16H10N2O/c17-8-11-2-1-3-12(6-11)13-4-5-16-15(7-13)14(10-19)9-18-16/h1-7,9-10,18H
InChI Key:
AZVOCLISXXHSNM-UHFFFAOYSA-N
SMILES:
O=Cc1c[nH]c2c1cc(cc2)c1cccc(c1)C#N
Properties
Complexity:
386
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.079g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
246.269g/mol
Monoisotopic Mass:
246.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
56.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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