Home Other Building Blocks 4-Iodo-2-(trifluoromethyl)benzoic acid

4-Iodo-2-(trifluoromethyl)benzoic acid

CAS No.:
954815-11-3
Catalog Number:
AG0036SL
Molecular Formula:
C8H4F3IO2
Molecular Weight:
316.0158
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Product Description
Catalog Number:
AG0036SL
Chemical Name:
4-Iodo-2-(trifluoromethyl)benzoic acid
CAS Number:
954815-11-3
Molecular Formula:
C8H4F3IO2
Molecular Weight:
316.0158
MDL Number:
MFCD09881756
IUPAC Name:
4-iodo-2-(trifluoromethyl)benzoic acid
InChI:
InChI=1S/C8H4F3IO2/c9-8(10,11)6-3-4(12)1-2-5(6)7(13)14/h1-3H,(H,13,14)
InChI Key:
XSQLEPZNGCNYKF-UHFFFAOYSA-N
SMILES:
Ic1ccc(c(c1)C(F)(F)F)C(=O)O
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