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Home > Fluorides > 100478-25-9
100478-25-9 | Pyrimidine, 4,6-bis(difluoromethoxy)-2-(methylthio)-
CAS No: 100478-25-9 Catalog No: AG00022Z MDL No:
Product Description
Catalog Number:
AG00022Z
Chemical Name:
Pyrimidine, 4,6-bis(difluoromethoxy)-2-(methylthio)-
CAS Number:
100478-25-9
Molecular Formula:
C7H6F4N2O2S
Molecular Weight:
258.1934
IUPAC Name:
4,6-bis(difluoromethoxy)-2-methylsulfanylpyrimidine
InChI:
InChI=1S/C7H6F4N2O2S/c1-16-7-12-3(14-5(8)9)2-4(13-7)15-6(10)11/h2,5-6H,1H3
InChI Key:
HURDQHYOXAOOJJ-UHFFFAOYSA-N
SMILES:
CSc1nc(OC(F)F)cc(n1)OC(F)F
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.009g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
258.191g/mol
Monoisotopic Mass:
258.009g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
69.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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