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1131614-17-9 | 4-(sec-Butoxy)-3-iodobenzoic acid
CAS No: 1131614-17-9 Catalog No: AG00HCLT MDL No:
Product Description
Catalog Number:
AG00HCLT
Chemical Name:
4-(sec-Butoxy)-3-iodobenzoic acid
CAS Number:
1131614-17-9
IUPAC Name:
4-butan-2-yloxy-3-iodobenzoic acid
InChI:
InChI=1S/C11H13IO3/c1-3-7(2)15-10-5-4-8(11(13)14)6-9(10)12/h4-7H,3H2,1-2H3,(H,13,14)
InChI Key:
OHACQAGAZPBNIP-UHFFFAOYSA-N
Properties
Complexity:
220
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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