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Home > Fluorides > 1186194-83-1
1186194-83-1 | 2,4,5-Trimethylbenzotrifluoride
CAS No: 1186194-83-1 Catalog No: AG01FET5 MDL No:
Product Description
Catalog Number:
AG01FET5
Chemical Name:
2,4,5-Trimethylbenzotrifluoride
CAS Number:
1186194-83-1
Molecular Formula:
C10H11F3
Molecular Weight:
188.1895
IUPAC Name:
1,2,4-trimethyl-5-(trifluoromethyl)benzene
InChI:
InChI=1S/C10H11F3/c1-6-4-8(3)9(5-7(6)2)10(11,12)13/h4-5H,1-3H3
InChI Key:
GHCRKFYOUAPPOI-UHFFFAOYSA-N
SMILES:
Cc1cc(c(cc1C)C)C(F)(F)F
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.081g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.193g/mol
Monoisotopic Mass:
188.081g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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