KB130015 25mg

CAT: 0628-A15493-25Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0628-A15493-25Size:25 mg

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

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CAS Number

147030-48-6

Chemical Information

KB-130015

structure in first source

CAS Number	147030-48-6
PubChem CID	9872203
IUPAC Name	2-[2,6-diiodo-4-[(2-methyl-1-benzofuran-3-yl)methyl]phenoxy]acetic acid
Molecular Formula	C18H14I2O4
Molecular Weight	548.1
XLogP	5.5
Topological Polar Surface Area	59.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Heavy Atom Count	24
Formal Charge	0
Complexity	435

SMILES

CC1=C(C2=CC=CC=C2O1)CC3=CC(=C(C(=C3)I)OCC(=O)O)I

InChI

InChI=1S/C18H14I2O4/c1-10-13(12-4-2-3-5-16(12)24-10)6-11-7-14(19)18(15(20)8-11)23-9-17(21)22/h2-5,7-8H,6,9H2,1H3,(H,21,22)

InChIKey

OLIKCJUMYWSDIV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 147030-48-6

CID: 9872203

Formula: C18H14I2O4

MW: 548.1

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	548.1
XLogP3	5.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	547.89815
Monoisotopic Mass	547.89815
Topological Polar Surface Area	59.7 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	435
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes