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1131614-19-1 | 3-Iodo-4-isobutoxybenzoic acid
CAS No: 1131614-19-1 Catalog No: AG00HCLU MDL No:
Product Description
Catalog Number:
AG00HCLU
Chemical Name:
3-Iodo-4-isobutoxybenzoic acid
CAS Number:
1131614-19-1
IUPAC Name:
3-iodo-4-(2-methylpropoxy)benzoic acid
InChI:
InChI=1S/C11H13IO3/c1-7(2)6-15-10-4-3-8(11(13)14)5-9(10)12/h3-5,7H,6H2,1-2H3,(H,13,14)
InChI Key:
AOVWUOOHZQQYPC-UHFFFAOYSA-N
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.991g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
320.126g/mol
Monoisotopic Mass:
319.991g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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