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Home > Indoles and Oxindole > 503829-96-7
503829-96-7 | 1-benzoyl-1H-indol-5-yl cyanide
CAS No: 503829-96-7 Catalog No: AG00JJLL MDL No:MFCD28354807
Product Description
Catalog Number:
AG00JJLL
Chemical Name:
1-benzoyl-1H-indol-5-yl cyanide
CAS Number:
503829-96-7
Molecular Formula:
C16H10N2O
Molecular Weight:
246.2634
MDL Number:
MFCD28354807
IUPAC Name:
1-benzoylindole-5-carbonitrile
InChI:
InChI=1S/C16H10N2O/c17-11-12-6-7-15-14(10-12)8-9-18(15)16(19)13-4-2-1-3-5-13/h1-10H
InChI Key:
PNCAWOWJTFXKJV-UHFFFAOYSA-N
SMILES:
N#Cc1ccc2c(c1)ccn2C(=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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