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Home > Fluorides > 174842-48-9
174842-48-9 | Pyrazolo[1,5-a]pyrimidine-3-carbonitrile, 2-(methylthio)-5,7-bis(trifluoromethyl)-
CAS No: 174842-48-9 Catalog No: AG00200C MDL No:MFCD00174391
Product Description
Catalog Number:
AG00200C
Chemical Name:
Pyrazolo[1,5-a]pyrimidine-3-carbonitrile, 2-(methylthio)-5,7-bis(trifluoromethyl)-
CAS Number:
174842-48-9
Molecular Formula:
C10H4F6N4S
Molecular Weight:
326.2210
MDL Number:
MFCD00174391
IUPAC Name:
2-methylsulfanyl-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
InChI:
InChI=1S/C10H4F6N4S/c1-21-8-4(3-17)7-18-5(9(11,12)13)2-6(10(14,15)16)20(7)19-8/h2H,1H3
InChI Key:
VCKIBRTVNGRWOF-UHFFFAOYSA-N
SMILES:
N#Cc1c(SC)nn2c1nc(cc2C(F)(F)F)C(F)(F)F
Properties
Complexity:
443
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.006g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
326.22g/mol
Monoisotopic Mass:
326.006g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
79.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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