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Home > Fluorides > 100478-30-6
100478-30-6 | Pyrimidine, 4,6-bis(difluoromethoxy)-2-(ethylthio)-
CAS No: 100478-30-6 Catalog No: AG00022Y MDL No:
Product Description
Catalog Number:
AG00022Y
Chemical Name:
Pyrimidine, 4,6-bis(difluoromethoxy)-2-(ethylthio)-
CAS Number:
100478-30-6
Molecular Formula:
C8H8F4N2O2S
Molecular Weight:
272.2199
IUPAC Name:
4,6-bis(difluoromethoxy)-2-ethylsulfanylpyrimidine
InChI:
InChI=1S/C8H8F4N2O2S/c1-2-17-8-13-4(15-6(9)10)3-5(14-8)16-7(11)12/h3,6-7H,2H2,1H3
InChI Key:
GMPVRSRTFJWIHC-UHFFFAOYSA-N
SMILES:
CCSc1nc(OC(F)F)cc(n1)OC(F)F
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.024g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
272.218g/mol
Monoisotopic Mass:
272.024g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
69.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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