Home Other Building Blocks 3-Iodo-4-(trifluoromethyl)benzoic acid

3-Iodo-4-(trifluoromethyl)benzoic acid

CAS No.:
1034690-61-3
Catalog Number:
AG0096JT
Molecular Formula:
C8H4F3IO2
Molecular Weight:
316.0158
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
25g
95%
In Stock USA
United States
$5895
- +
Product Description
Catalog Number:
AG0096JT
Chemical Name:
3-Iodo-4-(trifluoromethyl)benzoic acid
CAS Number:
1034690-61-3
Molecular Formula:
C8H4F3IO2
Molecular Weight:
316.0158
MDL Number:
MFCD18398157
IUPAC Name:
3-iodo-4-(trifluoromethyl)benzoic acid
InChI:
InChI=1S/C8H4F3IO2/c9-8(10,11)5-2-1-4(7(13)14)3-6(5)12/h1-3H,(H,13,14)
InChI Key:
WNJDSOAQPKABJD-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(c(c1)I)C(F)(F)F
Properties
Complexity:
229  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.921g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
316.018g/mol
Monoisotopic Mass:
315.921g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties