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Home > Fluorides > 199011-12-6
199011-12-6 | 2,5-Cyclohexadiene-1,4-dione, 2-(difluoromethyl)-3,5,6-trimethyl-
CAS No: 199011-12-6 Catalog No: AG002BV4 MDL No:
Product Description
Catalog Number:
AG002BV4
Chemical Name:
2,5-Cyclohexadiene-1,4-dione, 2-(difluoromethyl)-3,5,6-trimethyl-
CAS Number:
199011-12-6
Molecular Formula:
C10H10F2O2
Molecular Weight:
200.1820
IUPAC Name:
2-(difluoromethyl)-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione
InChI:
InChI=1S/C10H10F2O2/c1-4-5(2)9(14)7(10(11)12)6(3)8(4)13/h10H,1-3H3
InChI Key:
UDVOPAYUYXTDHN-UHFFFAOYSA-N
SMILES:
O=C1C(=C(C(F)F)C(=O)C(=C1C)C)C
Properties
Complexity:
376
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.065g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
200.185g/mol
Monoisotopic Mass:
200.065g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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