Home Nitriles 2-(5,6-difluoro-1H-indol-3-yl)acetonitrile

2-(5,6-difluoro-1H-indol-3-yl)acetonitrile

CAS No.:
959236-20-5
Catalog Number:
AG01BV3Z
Molecular Formula:
C10H6F2N2
Molecular Weight:
192.1648
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Product Description
Catalog Number:
AG01BV3Z
Chemical Name:
2-(5,6-difluoro-1H-indol-3-yl)acetonitrile
CAS Number:
959236-20-5
Molecular Formula:
C10H6F2N2
Molecular Weight:
192.1648
MDL Number:
MFCD09954788
IUPAC Name:
2-(5,6-difluoro-1H-indol-3-yl)acetonitrile
InChI:
InChI=1S/C10H6F2N2/c11-8-3-7-6(1-2-13)5-14-10(7)4-9(8)12/h3-5,14H,1H2
InChI Key:
DAYKAFDVIDUDPN-UHFFFAOYSA-N
SMILES:
N#CCc1c[nH]c2c1cc(F)c(c2)F
Properties
Complexity:
260  
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:
1  
Isotope Atom Count:
0
Molecular Weight:
192.169g/mol
Monoisotopic Mass:
192.05g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
39.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties