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85977-25-9 | 1,4-Methanonaphthalene, 1,4-dihydro-6-(trifluoromethyl)-
CAS No: 85977-25-9 Catalog No: AG004VO0 MDL No:
Product Description
Catalog Number:
AG004VO0
Chemical Name:
1,4-Methanonaphthalene, 1,4-dihydro-6-(trifluoromethyl)-
CAS Number:
85977-25-9
Molecular Formula:
C12H9F3
Molecular Weight:
210.1951
IUPAC Name:
4-(trifluoromethyl)tricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene
InChI:
InChI=1S/C12H9F3/c13-12(14,15)9-3-4-10-7-1-2-8(5-7)11(10)6-9/h1-4,6-8H,5H2
InChI Key:
CGEBSWVZXKTWRH-UHFFFAOYSA-N
SMILES:
FC(c1ccc2c(c1)C1C=CC2C1)(F)F
Properties
Complexity:
292
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.066g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
210.199g/mol
Monoisotopic Mass:
210.066g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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