Home Nitriles 6-Trifluoromethyl-pyridazine-3-carbonitrile

6-Trifluoromethyl-pyridazine-3-carbonitrile

CAS No.:
1206524-27-7
Catalog Number:
AG019CBR
Molecular Formula:
C6H2F3N3
Molecular Weight:
173.0954
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Product Description
Catalog Number:
AG019CBR
Chemical Name:
6-Trifluoromethyl-pyridazine-3-carbonitrile
CAS Number:
1206524-27-7
Molecular Formula:
C6H2F3N3
Molecular Weight:
173.0954
MDL Number:
MFCD23382363
IUPAC Name:
6-(trifluoromethyl)pyridazine-3-carbonitrile
InChI:
InChI=1S/C6H2F3N3/c7-6(8,9)5-2-1-4(3-10)11-12-5/h1-2H
InChI Key:
MWVDPHAXQYWTJH-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(nn1)C(F)(F)F
Properties
Complexity:
204  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.02g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
173.098g/mol
Monoisotopic Mass:
173.02g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
49.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties