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

3-methyl-2-(trifluoromethyl)benzoic acid

CAS No.:
1214385-15-5
Catalog Number:
AG019TNZ
Molecular Formula:
C9H7F3O2
Molecular Weight:
204.1459
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Product Description
Catalog Number:
AG019TNZ
Chemical Name:
3-methyl-2-(trifluoromethyl)benzoic acid
CAS Number:
1214385-15-5
Molecular Formula:
C9H7F3O2
Molecular Weight:
204.1459
MDL Number:
MFCD13185722
IUPAC Name:
3-methyl-2-(trifluoromethyl)benzoic acid
InChI:
InChI=1S/C9H7F3O2/c1-5-3-2-4-6(8(13)14)7(5)9(10,11)12/h2-4H,1H3,(H,13,14)
InChI Key:
RWQQQKKQKXBNGZ-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1C(F)(F)F)C
Properties
Complexity:
225  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.04g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
204.148g/mol
Monoisotopic Mass:
204.04g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties