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Home > Fluorides > 887144-97-0
887144-97-0 | 1-Trifluoromethyl-3,3-Dimethyl-1,2-Benziodoxole
CAS No: 887144-97-0 Catalog No: AG0038DB MDL No:MFCD10567056
Product Description
Catalog Number:
AG0038DB
Chemical Name:
1-Trifluoromethyl-3,3-Dimethyl-1,2-Benziodoxole
CAS Number:
887144-97-0
Molecular Formula:
C10H10F3IO
Molecular Weight:
330.0855
MDL Number:
MFCD10567056
IUPAC Name:
3,3-dimethyl-1-(trifluoromethyl)-1λ3,2-benziodoxole
InChI:
InChI=1S/C10H10F3IO/c1-9(2)7-5-3-4-6-8(7)14(15-9)10(11,12)13/h3-6H,1-2H3
InChI Key:
HVAPLSNCVYXFDQ-UHFFFAOYSA-N
SMILES:
FC([I]1OC(c2c1cccc2)(C)C)(F)F
UNII:
3OK0E02MT6
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
329.973g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
330.089g/mol
Monoisotopic Mass:
329.973g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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