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781-13-5 | Bicyclo[2.2.2]octa-2,5,7-triene, 2,3-bis(trifluoromethyl)-
CAS No: 781-13-5 Catalog No: AG0054ZG MDL No:
Product Description
Catalog Number:
AG0054ZG
Chemical Name:
Bicyclo[2.2.2]octa-2,5,7-triene, 2,3-bis(trifluoromethyl)-
CAS Number:
781-13-5
Molecular Formula:
C10H6F6
Molecular Weight:
240.1451
IUPAC Name:
2,3-bis(trifluoromethyl)bicyclo[2.2.2]octa-2,5,7-triene
InChI:
InChI=1S/C10H6F6/c11-9(12,13)7-5-1-2-6(4-3-5)8(7)10(14,15)16/h1-6H
InChI Key:
JCZDZKXTYSFTKE-UHFFFAOYSA-N
SMILES:
FC(C1=C(C2C=CC1C=C2)C(F)(F)F)(F)F
Properties
Complexity:
343
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.037g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
240.148g/mol
Monoisotopic Mass:
240.037g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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