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1131588-07-2 | 4-Butyl-3-iodobenzoic acid
CAS No: 1131588-07-2 Catalog No: AG00HCJ2 MDL No:
Product Description
Catalog Number:
AG00HCJ2
Chemical Name:
4-Butyl-3-iodobenzoic acid
CAS Number:
1131588-07-2
IUPAC Name:
4-butyl-3-iodobenzoic acid
InChI:
InChI=1S/C11H13IO2/c1-2-3-4-8-5-6-9(11(13)14)7-10(8)12/h5-7H,2-4H2,1H3,(H,13,14)
InChI Key:
KJYDZDRDOSJJLZ-UHFFFAOYSA-N
Properties
Complexity:
194
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:
4
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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