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Home > Fluorides > 930599-58-9
930599-58-9 | 5-Iodo-2-methylbenzotrifluoride
CAS No: 930599-58-9 Catalog No: AG01EZBM MDL No:MFCD12026291
Product Description
Catalog Number:
AG01EZBM
Chemical Name:
5-Iodo-2-methylbenzotrifluoride
CAS Number:
930599-58-9
Molecular Formula:
C8H6F3I
Molecular Weight:
286.0329
MDL Number:
MFCD12026291
IUPAC Name:
4-iodo-1-methyl-2-(trifluoromethyl)benzene
InChI:
InChI=1S/C8H6F3I/c1-5-2-3-6(12)4-7(5)8(9,10)11/h2-4H,1H3
InChI Key:
IRNKYHBUZZWJGM-UHFFFAOYSA-N
SMILES:
Ic1ccc(c(c1)C(F)(F)F)C
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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