Home Aminos Methyl 2-amino-5-nitro-4-(trifluoromethyl)benzoate

Methyl 2-amino-5-nitro-4-(trifluoromethyl)benzoate

CAS No.:
875155-19-4
Catalog Number:
AG01DI5A
Molecular Formula:
C9H7F3N2O4
Molecular Weight:
264.1581
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$219
- +
250mg
95%
In Stock USA
United States
$350
- +
Product Description
Catalog Number:
AG01DI5A
Chemical Name:
Methyl 2-amino-5-nitro-4-(trifluoromethyl)benzoate
CAS Number:
875155-19-4
Molecular Formula:
C9H7F3N2O4
Molecular Weight:
264.1581
MDL Number:
MFCD26398821
IUPAC Name:
methyl 2-amino-5-nitro-4-(trifluoromethyl)benzoate
InChI:
InChI=1S/C9H7F3N2O4/c1-18-8(15)4-2-7(14(16)17)5(3-6(4)13)9(10,11)12/h2-3H,13H2,1H3
InChI Key:
YPFUHFOLSYLYNX-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc([N+](=O)[O-])c(cc1N)C(F)(F)F
Properties
Complexity:
342  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.036g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
264.16g/mol
Monoisotopic Mass:
264.036g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
98.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties