Home Other Building Blocks 3-fluoro-2-methyl-4-(trifluoromethyl)benzoic acid

3-fluoro-2-methyl-4-(trifluoromethyl)benzoic acid

CAS No.:
1070761-76-0
Catalog Number:
AG01ACBX
Molecular Formula:
C9H6F4O2
Molecular Weight:
222.1364
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Product Description
Catalog Number:
AG01ACBX
Chemical Name:
3-fluoro-2-methyl-4-(trifluoromethyl)benzoic acid
CAS Number:
1070761-76-0
Molecular Formula:
C9H6F4O2
Molecular Weight:
222.1364
MDL Number:
MFCD27980628
IUPAC Name:
3-fluoro-2-methyl-4-(trifluoromethyl)benzoic acid
InChI:
InChI=1S/C9H6F4O2/c1-4-5(8(14)15)2-3-6(7(4)10)9(11,12)13/h2-3H,1H3,(H,14,15)
InChI Key:
JECYHAUUPAXQEF-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(c(c1C)F)C(F)(F)F
Properties
Complexity:
251  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.03g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
222.139g/mol
Monoisotopic Mass:
222.03g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties