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Home > Fluorides > 143771-04-4
143771-04-4 | 2,4-Cyclohexadien-1-one, 4-(1,1-dimethylethyl)-6,6-difluoro-
CAS No: 143771-04-4 Catalog No: AG001ID3 MDL No:
Product Description
Catalog Number:
AG001ID3
Chemical Name:
2,4-Cyclohexadien-1-one, 4-(1,1-dimethylethyl)-6,6-difluoro-
CAS Number:
143771-04-4
Molecular Formula:
C10H12F2O
Molecular Weight:
186.1985
IUPAC Name:
4-tert-butyl-6,6-difluorocyclohexa-2,4-dien-1-one
InChI:
InChI=1S/C10H12F2O/c1-9(2,3)7-4-5-8(13)10(11,12)6-7/h4-6H,1-3H3
InChI Key:
QEKBTPXLDICFPO-UHFFFAOYSA-N
SMILES:
O=C1C=CC(=CC1(F)F)C(C)(C)C
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.086g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.202g/mol
Monoisotopic Mass:
186.086g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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