Home Other Building Blocks 3-(difluoromethoxy)-4-iodobenzoic acid

3-(difluoromethoxy)-4-iodobenzoic acid

CAS No.:
1695687-68-3
Catalog Number:
AG01CAD4
Molecular Formula:
C8H5F2IO3
Molecular Weight:
314.0248
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Product Description
Catalog Number:
AG01CAD4
Chemical Name:
3-(difluoromethoxy)-4-iodobenzoic acid
CAS Number:
1695687-68-3
Molecular Formula:
C8H5F2IO3
Molecular Weight:
314.0248
MDL Number:
MFCD31559707
IUPAC Name:
3-(difluoromethoxy)-4-iodobenzoic acid
InChI:
InChI=1S/C8H5F2IO3/c9-8(10)14-6-3-4(7(12)13)1-2-5(6)11/h1-3,8H,(H,12,13)
InChI Key:
XUDGTJHOJIRNAE-UHFFFAOYSA-N
SMILES:
FC(Oc1cc(ccc1I)C(=O)O)F
Properties
Complexity:
213  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.925g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
314.026g/mol
Monoisotopic Mass:
313.925g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties