Home Nitriles 1-(difluoromethyl)-1H-indole-3-carbonitrile

1-(difluoromethyl)-1H-indole-3-carbonitrile

CAS No.:
1506544-16-6
Catalog Number:
AG01C3VP
Molecular Formula:
C10H6F2N2
Molecular Weight:
192.1648
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Product Description
Catalog Number:
AG01C3VP
Chemical Name:
1-(difluoromethyl)-1H-indole-3-carbonitrile
CAS Number:
1506544-16-6
Molecular Formula:
C10H6F2N2
Molecular Weight:
192.1648
MDL Number:
MFCD29762896
IUPAC Name:
1-(difluoromethyl)indole-3-carbonitrile
InChI:
InChI=1S/C10H6F2N2/c11-10(12)14-6-7(5-13)8-3-1-2-4-9(8)14/h1-4,6,10H
InChI Key:
QOEWZISIMSQZQV-UHFFFAOYSA-N
SMILES:
N#Cc1cn(c2c1cccc2)C(F)F
Properties
Complexity:
258  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.05g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
192.169g/mol
Monoisotopic Mass:
192.05g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties