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Home > Fluorides > 830346-47-9
830346-47-9 | 1-(2-fluoro-6-(trifluoromethyl)benzyl)-6-methylpyrimidine-2,4(1H,3H)-dione
CAS No: 830346-47-9 Catalog No: AG0036FK MDL No:MFCD12546645
Product Description
Catalog Number:
AG0036FK
Chemical Name:
1-(2-fluoro-6-(trifluoromethyl)benzyl)-6-methylpyrimidine-2,4(1H,3H)-dione
CAS Number:
830346-47-9
Molecular Formula:
C13H10F4N2O2
Molecular Weight:
302.2243
MDL Number:
MFCD12546645
IUPAC Name:
1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-6-methylpyrimidine-2,4-dione
InChI:
InChI=1S/C13H10F4N2O2/c1-7-5-11(20)18-12(21)19(7)6-8-9(13(15,16)17)3-2-4-10(8)14/h2-5H,6H2,1H3,(H,18,20,21)
InChI Key:
IJRKKZXPXBTHER-UHFFFAOYSA-N
SMILES:
O=c1cc(C)n(c(=O)[nH]1)Cc1c(F)cccc1C(F)(F)F
Properties
Complexity:
475
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.068g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
302.229g/mol
Monoisotopic Mass:
302.068g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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