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820234-24-0 | 1H-Indole-5-carbonitrile, 1-[2-(phenylmethoxy)benzoyl]-
CAS No: 820234-24-0 Catalog No: AG004YF2 MDL No:
Product Description
Catalog Number:
AG004YF2
Chemical Name:
1H-Indole-5-carbonitrile, 1-[2-(phenylmethoxy)benzoyl]-
CAS Number:
820234-24-0
Molecular Formula:
C23H16N2O2
Molecular Weight:
352.3853
IUPAC Name:
1-(2-phenylmethoxybenzoyl)indole-5-carbonitrile
InChI:
InChI=1S/C23H16N2O2/c24-15-18-10-11-21-19(14-18)12-13-25(21)23(26)20-8-4-5-9-22(20)27-16-17-6-2-1-3-7-17/h1-14H,16H2
InChI Key:
GDRNFVFIACJBNS-UHFFFAOYSA-N
SMILES:
N#Cc1ccc2c(c1)ccn2C(=O)c1ccccc1OCc1ccccc1
Properties
Complexity:
562
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
352.121g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
352.393g/mol
Monoisotopic Mass:
352.121g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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