Home Other Building Blocks 2-Nitro-4-(trifluoromethoxy)benzoic acid

2-Nitro-4-(trifluoromethoxy)benzoic acid

CAS No.:
142494-70-0
Catalog Number:
AG00A09R
Molecular Formula:
C8H4F3NO5
Molecular Weight:
251.1163
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
96%
In Stock USA
United States
$325
- +
1g
96%
In Stock USA
United States
$813
- +
Product Description
Catalog Number:
AG00A09R
Chemical Name:
2-Nitro-4-(trifluoromethoxy)benzoic acid
CAS Number:
142494-70-0
Molecular Formula:
C8H4F3NO5
Molecular Weight:
251.1163
MDL Number:
MFCD13185756
IUPAC Name:
2-nitro-4-(trifluoromethoxy)benzoic acid
InChI:
InChI=1S/C8H4F3NO5/c9-8(10,11)17-4-1-2-5(7(13)14)6(3-4)12(15)16/h1-3H,(H,13,14)
InChI Key:
JANOFBIDZFXRKA-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(ccc1C(=O)O)OC(F)(F)F
Properties
Complexity:
313  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.004g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
251.117g/mol
Monoisotopic Mass:
251.004g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties