Home Other Building Blocks 5-fluoro-2-iodo-3-methylbenzoic acid

5-fluoro-2-iodo-3-methylbenzoic acid

CAS No.:
1415764-25-8
Catalog Number:
AG01ELDR
Molecular Formula:
C8H6FIO2
Molecular Weight:
280.0349
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Product Description
Catalog Number:
AG01ELDR
Chemical Name:
5-fluoro-2-iodo-3-methylbenzoic acid
CAS Number:
1415764-25-8
Molecular Formula:
C8H6FIO2
Molecular Weight:
280.0349
MDL Number:
MFCD31620914
IUPAC Name:
5-fluoro-2-iodo-3-methylbenzoic acid
InChI:
InChI=1S/C8H6FIO2/c1-4-2-5(9)3-6(7(4)10)8(11)12/h2-3H,1H3,(H,11,12)
InChI Key:
PAZAVFQHUJMVOF-UHFFFAOYSA-N
SMILES:
Fc1cc(C)c(c(c1)C(=O)O)I
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