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1131614-80-6 | 4-(4-Ethylcyclohexyl)-3-iodobenzoic acid
CAS No: 1131614-80-6 Catalog No: AG00HCNB MDL No:
Product Description
Catalog Number:
AG00HCNB
Chemical Name:
4-(4-Ethylcyclohexyl)-3-iodobenzoic acid
CAS Number:
1131614-80-6
IUPAC Name:
4-(4-ethylcyclohexyl)-3-iodobenzoic acid
InChI:
InChI=1S/C15H19IO2/c1-2-10-3-5-11(6-4-10)13-8-7-12(15(17)18)9-14(13)16/h7-11H,2-6H2,1H3,(H,17,18)
InChI Key:
YMDSJUWEVJSDLM-UHFFFAOYSA-N
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
358.043g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
358.219g/mol
Monoisotopic Mass:
358.043g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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