CO23

CAT: 0127-BUP00488-01Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP00488-01Size:1 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

1370363-74-8

Purity

=95%

Smiles

CC(C)c1cc(Oc2c(I)cc(CC3NC(=O)NC3=O)cc2I)ccc1O

Chemical Information

5-[[4-(4-Hydroxy-3-propan-2-ylphenoxy)-3,5-diiodophenyl]methyl]imidazolidine-2,4-dione

CAS Number	1370363-74-8
PubChem CID	44452442
IUPAC Name	5-[[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-diiodophenyl]methyl]imidazolidine-2,4-dione
Molecular Formula	C19H18I2N2O4
Molecular Weight	592.2
XLogP	4.5
Topological Polar Surface Area	87.7
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Heavy Atom Count	27
Formal Charge	0
Complexity	550

SMILES

CC(C)C1=C(C=CC(=C1)OC2=C(C=C(C=C2I)CC3C(=O)NC(=O)N3)I)O

InChI

InChI=1S/C19H18I2N2O4/c1-9(2)12-8-11(3-4-16(12)24)27-17-13(20)5-10(6-14(17)21)7-15-18(25)23-19(26)22-15/h3-6,8-9,15,24H,7H2,1-2H3,(H2,22,23,25,26)

InChIKey

JWJXVEFUJLKBBT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1370363-74-8

CID: 44452442

Formula: C19H18I2N2O4

MW: 592.2

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	592.2
XLogP3	4.5
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	591.93560
Monoisotopic Mass	591.93560
Topological Polar Surface Area	87.7 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	550
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
BA9264-10	CO23