Home Aminos 2-amino-3-methyl-4-(trifluoromethyl)benzoic acid

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

CAS No.:
851045-51-7
Catalog Number:
AG01BJ2X
Molecular Formula:
C9H8F3NO2
Molecular Weight:
219.1605
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Product Description
Catalog Number:
AG01BJ2X
Chemical Name:
2-amino-3-methyl-4-(trifluoromethyl)benzoic acid
CAS Number:
851045-51-7
Molecular Formula:
C9H8F3NO2
Molecular Weight:
219.1605
MDL Number:
MFCD23975412
IUPAC Name:
2-amino-3-methyl-4-(trifluoromethyl)benzoic acid
InChI:
InChI=1S/C9H8F3NO2/c1-4-6(9(10,11)12)3-2-5(7(4)13)8(14)15/h2-3H,13H2,1H3,(H,14,15)
InChI Key:
VFDUATBWQMJDFP-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(c(c1N)C)C(F)(F)F
Properties
Complexity:
254  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.051g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
219.163g/mol
Monoisotopic Mass:
219.051g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties