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1432900-96-3 | 5-(3-(2-iodobenzoyl)-1H-indol-1-yl)pentanoicacid
CAS No: 1432900-96-3 Catalog No: AG01EP1R MDL No:
Product Description
Catalog Number:
AG01EP1R
Chemical Name:
5-(3-(2-iodobenzoyl)-1H-indol-1-yl)pentanoicacid
CAS Number:
1432900-96-3
Molecular Formula:
C20H18INO3
Molecular Weight:
447.2663
IUPAC Name:
5-[3-(2-iodobenzoyl)indol-1-yl]pentanoic acid
InChI:
InChI=1S/C20H18INO3/c21-17-9-3-1-8-15(17)20(25)16-13-22(12-6-5-11-19(23)24)18-10-4-2-7-14(16)18/h1-4,7-10,13H,5-6,11-12H2,(H,23,24)
InChI Key:
YRJDOAITNOJOHV-UHFFFAOYSA-N
SMILES:
OC(=O)CCCCn1cc(c2c1cccc2)C(=O)c1ccccc1I
Properties
Complexity:
484
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
447.033g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
447.272g/mol
Monoisotopic Mass:
447.033g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
59.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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