Home Other Building Blocks 3-Iodo-4-isopropoxybenzoic acid

3-Iodo-4-isopropoxybenzoic acid

CAS No.:
856167-47-0
Catalog Number:
AG008H9U
Molecular Formula:
C10H11IO3
Molecular Weight:
306.0970
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Product Description
Catalog Number:
AG008H9U
Chemical Name:
3-Iodo-4-isopropoxybenzoic acid
CAS Number:
856167-47-0
Molecular Formula:
C10H11IO3
Molecular Weight:
306.0970
MDL Number:
MFCD09271829
IUPAC Name:
3-iodo-4-propan-2-yloxybenzoic acid
InChI:
InChI=1S/C10H11IO3/c1-6(2)14-9-4-3-7(10(12)13)5-8(9)11/h3-6H,1-2H3,(H,12,13)
InChI Key:
HHYAIENIWGJTJX-UHFFFAOYSA-N
SMILES:
CC(Oc1ccc(cc1I)C(=O)O)C
Properties
Complexity:
206  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.975g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
306.099g/mol
Monoisotopic Mass:
305.975g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties