Home Other Building Blocks 2-fluoro-5-iodo-4-methylbenzoic acid

2-fluoro-5-iodo-4-methylbenzoic acid

CAS No.:
1300741-56-3
Catalog Number:
AG01C31F
Molecular Formula:
C8H6FIO2
Molecular Weight:
280.0349
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01C31F
Chemical Name:
2-fluoro-5-iodo-4-methylbenzoic acid
CAS Number:
1300741-56-3
Molecular Formula:
C8H6FIO2
Molecular Weight:
280.0349
MDL Number:
MFCD24107264
IUPAC Name:
2-fluoro-5-iodo-4-methylbenzoic acid
InChI:
InChI=1S/C8H6FIO2/c1-4-2-6(9)5(8(11)12)3-7(4)10/h2-3H,1H3,(H,11,12)
InChI Key:
JPJKIRXNEVXOMT-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(I)c(cc1F)C
Properties
Complexity:
186  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.94g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
280.037g/mol
Monoisotopic Mass:
279.94g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties