Home Aminos Methyl 2-amino-4-(trifluoromethyl)benzoate

Methyl 2-amino-4-(trifluoromethyl)benzoate

CAS No.:
61500-87-6
Catalog Number:
AG00333E
Molecular Formula:
C9H8F3NO2
Molecular Weight:
219.1605
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$38
- +
5g
95%
In Stock USA
United States
$93
- +
10g
98%
In Stock USA
United States
$157
- +
25g
98%
In Stock USA
United States
$319
- +
100g
98%
In Stock USA
United States
$813
- +
Product Description
Catalog Number:
AG00333E
Chemical Name:
Methyl 2-amino-4-(trifluoromethyl)benzoate
CAS Number:
61500-87-6
Molecular Formula:
C9H8F3NO2
Molecular Weight:
219.1605
MDL Number:
MFCD08543939
IUPAC Name:
methyl 2-amino-4-(trifluoromethyl)benzoate
InChI:
InChI=1S/C9H8F3NO2/c1-15-8(14)6-3-2-5(4-7(6)13)9(10,11)12/h2-4H,13H2,1H3
InChI Key:
DZICUHOFOOPVFM-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1N)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:
2.8  
Properties