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193882-71-2 | Benzoic acid, 5-iodo-2-(1-methylethoxy)-
CAS No: 193882-71-2 Catalog No: AG0074V6 MDL No:
Product Description
Catalog Number:
AG0074V6
Chemical Name:
Benzoic acid, 5-iodo-2-(1-methylethoxy)-
CAS Number:
193882-71-2
Molecular Formula:
C10H11IO3
Molecular Weight:
306.0970
IUPAC Name:
5-iodo-2-propan-2-yloxybenzoic acid
InChI:
InChI=1S/C10H11IO3/c1-6(2)14-9-4-3-7(11)5-8(9)10(12)13/h3-6H,1-2H3,(H,12,13)
InChI Key:
MFNUCSSZMNUUKO-UHFFFAOYSA-N
SMILES:
CC(Oc1ccc(cc1C(=O)O)I)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:
3
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