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Home Other Building Blocks 6,6-DIFLUORO-6,7,8,9-TETRAHYDRO-5H-BENZO[7]ANNULEN-5-ONE

6,6-DIFLUORO-6,7,8,9-TETRAHYDRO-5H-BENZO[7]ANNULEN-5-ONE

CAS No.:
874279-88-6
Catalog Number:
AG01DWRC
Molecular Formula:
C11H10F2O
Molecular Weight:
196.1933
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Product Description
Catalog Number:
AG01DWRC
Chemical Name:
6,6-DIFLUORO-6,7,8,9-TETRAHYDRO-5H-BENZO[7]ANNULEN-5-ONE
CAS Number:
874279-88-6
Molecular Formula:
C11H10F2O
Molecular Weight:
196.1933
MDL Number:
MFCD11044117
IUPAC Name:
6,6-difluoro-8,9-dihydro-7H-benzo[7]annulen-5-one
InChI:
InChI=1S/C11H10F2O/c12-11(13)7-3-5-8-4-1-2-6-9(8)10(11)14/h1-2,4,6H,3,5,7H2
InChI Key:
XKIOHCHHAWSCTB-UHFFFAOYSA-N
SMILES:
O=C1c2ccccc2CCCC1(F)F
Properties
Complexity:
237  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.07g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.197g/mol
Monoisotopic Mass:
196.07g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Literature
Title Journal
Difluorobenzocyclooctyne: synthesis, reactivity, and stabilization by beta-cyclodextrin. Journal of the American Chemical Society 20100825
Properties