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1131588-08-3 | 3-Iodo-4-isobutylbenzoic acid
CAS No: 1131588-08-3 Catalog No: AG00HCJ3 MDL No:
Product Description
Catalog Number:
AG00HCJ3
Chemical Name:
3-Iodo-4-isobutylbenzoic acid
CAS Number:
1131588-08-3
IUPAC Name:
3-iodo-4-(2-methylpropyl)benzoic acid
InChI:
InChI=1S/C11H13IO2/c1-7(2)5-8-3-4-9(11(13)14)6-10(8)12/h3-4,6-7H,5H2,1-2H3,(H,13,14)
InChI Key:
JLFFWJFGLZFAKV-UHFFFAOYSA-N
Properties
Complexity:
204
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.996g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
304.127g/mol
Monoisotopic Mass:
303.996g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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