Home Aminos Methyl 3-amino-4-(trifluoromethyl)benzoate

Methyl 3-amino-4-(trifluoromethyl)benzoate

CAS No.:
126541-82-0
Catalog Number:
AG000SWL
Molecular Formula:
C9H8F3NO2
Molecular Weight:
219.1605
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$232
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Product Description
Catalog Number:
AG000SWL
Chemical Name:
Methyl 3-amino-4-(trifluoromethyl)benzoate
CAS Number:
126541-82-0
Molecular Formula:
C9H8F3NO2
Molecular Weight:
219.1605
MDL Number:
MFCD14697987
IUPAC Name:
methyl 3-amino-4-(trifluoromethyl)benzoate
InChI:
InChI=1S/C9H8F3NO2/c1-15-8(14)5-2-3-6(7(13)4-5)9(10,11)12/h2-4H,13H2,1H3
InChI Key:
GESWYDYJQMSAOJ-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(c(c1)N)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:
1  
Isotope Atom Count:
0
Molecular Weight:
219.163g/mol
Monoisotopic Mass:
219.051g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties