Home Nitros 2-Chloro-3-nitro-5-(trifluoromethyl)benzoic acid

2-Chloro-3-nitro-5-(trifluoromethyl)benzoic acid

CAS No.:
22227-59-4
Catalog Number:
AG00BFDH
Molecular Formula:
C8H3ClF3NO4
Molecular Weight:
269.5619
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$100
- +
5g
97%
In Stock USA
United States
$300
- +
10g
97%
In Stock USA
United States
$513
- +
25g
97%
In Stock USA
United States
$1025
- +
Product Description
Catalog Number:
AG00BFDH
Chemical Name:
2-Chloro-3-nitro-5-(trifluoromethyl)benzoic acid
CAS Number:
22227-59-4
Molecular Formula:
C8H3ClF3NO4
Molecular Weight:
269.5619
MDL Number:
MFCD11847295
IUPAC Name:
2-chloro-3-nitro-5-(trifluoromethyl)benzoic acid
InChI:
InChI=1S/C8H3ClF3NO4/c9-6-4(7(14)15)1-3(8(10,11)12)2-5(6)13(16)17/h1-2H,(H,14,15)
InChI Key:
PSRPKTROFCUEOD-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(cc(c1Cl)[N+](=O)[O-])C(F)(F)F
Properties
Complexity:
330  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.97g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
269.56g/mol
Monoisotopic Mass:
268.97g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties