Home Nitros 2-nitro-5-(trifluoromethyl)benzoic acid

2-nitro-5-(trifluoromethyl)benzoic acid

CAS No.:
1214373-54-2
Catalog Number:
AG0014XG
Molecular Formula:
C8H4F3NO4
Molecular Weight:
235.1169
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
1 week
United States
$287
- +
Product Description
Catalog Number:
AG0014XG
Chemical Name:
2-nitro-5-(trifluoromethyl)benzoic acid
CAS Number:
1214373-54-2
Molecular Formula:
C8H4F3NO4
Molecular Weight:
235.1169
MDL Number:
MFCD13185776
IUPAC Name:
2-nitro-5-(trifluoromethyl)benzoic acid
InChI:
InChI=1S/C8H4F3NO4/c9-8(10,11)4-1-2-6(12(15)16)5(3-4)7(13)14/h1-3H,(H,13,14)
InChI Key:
POSKCQXWHNDYKW-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(ccc1[N+](=O)[O-])C(F)(F)F
Properties
Complexity:
299  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.009g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
235.118g/mol
Monoisotopic Mass:
235.009g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties