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13055-62-4 | Benzene, 2-iodo-1-methyl-4-(trifluoromethyl)-
CAS No: 13055-62-4 Catalog No: AG000UMT MDL No:MFCD15143543
Product Description
Catalog Number:
AG000UMT
Chemical Name:
Benzene, 2-iodo-1-methyl-4-(trifluoromethyl)-
CAS Number:
13055-62-4
Molecular Formula:
C8H6F3I
Molecular Weight:
286.0329
MDL Number:
MFCD15143543
IUPAC Name:
2-iodo-1-methyl-4-(trifluoromethyl)benzene
InChI:
InChI=1S/C8H6F3I/c1-5-2-3-6(4-7(5)12)8(9,10)11/h2-4H,1H3
InChI Key:
ZRLVXVHZQHJOQQ-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1I)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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