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91606-61-0

91606-61-0 | 2(1H)-Pyrimidinone, 4-(1-methylethyl)-6-(trifluoromethyl)-

CAS No: 91606-61-0 Catalog No: AG006FSL MDL No:

Product Description

Catalog Number:
AG006FSL
Chemical Name:
2(1H)-Pyrimidinone, 4-(1-methylethyl)-6-(trifluoromethyl)-
CAS Number:
91606-61-0
Molecular Formula:
C8H9F3N2O
Molecular Weight:
206.1651
IUPAC Name:
6-propan-2-yl-4-(trifluoromethyl)-1H-pyrimidin-2-one
InChI:
InChI=1S/C8H9F3N2O/c1-4(2)5-3-6(8(9,10)11)13-7(14)12-5/h3-4H,1-2H3,(H,12,13,14)
InChI Key:
AQWLZWSKVPQCSE-UHFFFAOYSA-N
SMILES:
CC(c1nc(=O)[nH]c(c1)C(F)(F)F)C

Properties

Complexity:
315  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.067g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
206.168g/mol
Monoisotopic Mass:
206.067g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
41.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  

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