Home Aminos 2-(methylamino)-5-(trifluoromethyl)benzoic acid

2-(methylamino)-5-(trifluoromethyl)benzoic acid

CAS No.:
445479-60-7
Catalog Number:
AG01B2NH
Molecular Formula:
C9H8F3NO2
Molecular Weight:
219.1605
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01B2NH
Chemical Name:
2-(methylamino)-5-(trifluoromethyl)benzoic acid
CAS Number:
445479-60-7
Molecular Formula:
C9H8F3NO2
Molecular Weight:
219.1605
MDL Number:
MFCD16852541
IUPAC Name:
2-(methylamino)-5-(trifluoromethyl)benzoic acid
InChI:
InChI=1S/C9H8F3NO2/c1-13-7-3-2-5(9(10,11)12)4-6(7)8(14)15/h2-4,13H,1H3,(H,14,15)
InChI Key:
DHGGWLNECBYZHW-UHFFFAOYSA-N
SMILES:
CNc1ccc(cc1C(=O)O)C(F)(F)F
Properties
Complexity:
242  
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:
2  
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  
Properties