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Home > Fluorides > 863111-55-1
863111-55-1 | 3-Iodo-2-methylbenzotrifluoride
CAS No: 863111-55-1 Catalog No: AG01EXW6 MDL No:MFCD09800791
Product Description
Catalog Number:
AG01EXW6
Chemical Name:
3-Iodo-2-methylbenzotrifluoride
CAS Number:
863111-55-1
Molecular Formula:
C8H6F3I
Molecular Weight:
286.0329
MDL Number:
MFCD09800791
IUPAC Name:
1-iodo-2-methyl-3-(trifluoromethyl)benzene
InChI:
InChI=1S/C8H6F3I/c1-5-6(8(9,10)11)3-2-4-7(5)12/h2-4H,1H3
InChI Key:
RGOUOPUELKSWEC-UHFFFAOYSA-N
SMILES:
Ic1cccc(c1C)C(F)(F)F
Properties
Complexity:
155
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.947g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
286.036g/mol
Monoisotopic Mass:
285.947g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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