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99059-64-0 | 3-Iodo-4-isopropylbenzoic acid
CAS No: 99059-64-0 Catalog No: AG005T8H MDL No:MFCD11110761
Product Description
Catalog Number:
AG005T8H
Chemical Name:
3-Iodo-4-isopropylbenzoic acid
CAS Number:
99059-64-0
Molecular Formula:
C10H11IO2
Molecular Weight:
290.0976
MDL Number:
MFCD11110761
IUPAC Name:
3-iodo-4-propan-2-ylbenzoic acid
InChI:
InChI=1S/C10H11IO2/c1-6(2)8-4-3-7(10(12)13)5-9(8)11/h3-6H,1-2H3,(H,12,13)
InChI Key:
YKYRHJJXCOILPA-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(c(c1)I)C(C)C
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.98g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
290.1g/mol
Monoisotopic Mass:
289.98g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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