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1578263-85-0

1578263-85-0 | 1H-Indole-4-carbonitrile, 2,3-dihydro-1-(2,2,2-trifluoroacetyl)-

CAS No: 1578263-85-0 Catalog No: AG001PQA MDL No:

Product Description

Catalog Number:
AG001PQA
Chemical Name:
1H-Indole-4-carbonitrile, 2,3-dihydro-1-(2,2,2-trifluoroacetyl)-
CAS Number:
1578263-85-0
Molecular Formula:
C11H7F3N2O
Molecular Weight:
240.1813
IUPAC Name:
1-(2,2,2-trifluoroacetyl)-2,3-dihydroindole-4-carbonitrile
InChI:
InChI=1S/C11H7F3N2O/c12-11(13,14)10(17)16-5-4-8-7(6-15)2-1-3-9(8)16/h1-3H,4-5H2
InChI Key:
GDWCFZAHZHZJBI-UHFFFAOYSA-N
SMILES:
N#Cc1cccc2c1CCN2C(=O)C(F)(F)F

Properties

Complexity:
371  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.051g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
240.185g/mol
Monoisotopic Mass:
240.051g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  

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