Home Halogens 3-bromo-2-fluoro-6-iodobenzoic acid

3-bromo-2-fluoro-6-iodobenzoic acid

CAS No.:
217816-54-1
Catalog Number:
AG01C570
Molecular Formula:
C7H3BrFIO2
Molecular Weight:
344.9044
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Product Description
Catalog Number:
AG01C570
Chemical Name:
3-bromo-2-fluoro-6-iodobenzoic acid
CAS Number:
217816-54-1
Molecular Formula:
C7H3BrFIO2
Molecular Weight:
344.9044
MDL Number:
MFCD13191963
IUPAC Name:
3-bromo-2-fluoro-6-iodobenzoic acid
InChI:
InChI=1S/C7H3BrFIO2/c8-3-1-2-4(10)5(6(3)9)7(11)12/h1-2H,(H,11,12)
InChI Key:
KKBOVNFQMMIFRV-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(I)ccc(c1F)Br
Properties
Complexity:
190  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
343.835g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
344.906g/mol
Monoisotopic Mass:
343.835g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties