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Home > Indoles and Oxindole > 90539-80-3
90539-80-3 | 1H-Indole-3-carbonitrile, 1-benzoyl-
CAS No: 90539-80-3 Catalog No: AG006COO MDL No:MFCD19325760
Product Description
Catalog Number:
AG006COO
Chemical Name:
1H-Indole-3-carbonitrile, 1-benzoyl-
CAS Number:
90539-80-3
Molecular Formula:
C16H10N2O
Molecular Weight:
246.2634
MDL Number:
MFCD19325760
IUPAC Name:
1-benzoylindole-3-carbonitrile
InChI:
InChI=1S/C16H10N2O/c17-10-13-11-18(15-9-5-4-8-14(13)15)16(19)12-6-2-1-3-7-12/h1-9,11H
InChI Key:
WBCBIRFUTIXTHJ-UHFFFAOYSA-N
SMILES:
N#Cc1cn(c2c1cccc2)C(=O)c1ccccc1
Properties
Complexity:
391
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:
0
Isotope Atom Count:
0
Molecular Weight:
246.269g/mol
Monoisotopic Mass:
246.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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