4-Iodoisoquinoline

CAT: 0127-OR75306-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR75306-01Size:250 mg

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

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CAS Number

55270-33-2

MDL Number

MFCD00234496

Purity

97%

Smiles

IC1=CN=CC2=CC=CC=C12

Chemical Information

4-Iodoisoquinoline

CAS Number	55270-33-2
PubChem CID	640975
IUPAC Name	4-iodoisoquinoline
Molecular Formula	C9H6IN
Molecular Weight	255.05
XLogP	2.8
Topological Polar Surface Area	12.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Heavy Atom Count	11
Formal Charge	0
Complexity	138

SMILES

C1=CC=C2C(=C1)C=NC=C2I

InChI

InChI=1S/C9H6IN/c10-9-6-11-5-7-3-1-2-4-8(7)9/h1-6H

InChIKey

LRPCCFSUFGFVBO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 55270-33-2

CID: 640975

Formula: C9H6IN

MW: 255.05

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	255.05
XLogP3	2.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	254.95450
Monoisotopic Mass	254.95450
Topological Polar Surface Area	12.9 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	138
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

Catalog	Name
NFD58246-01	6-Bromo-4-iodoisoquinoline
ADA47683-01	7-Iodoisoquinoline
GVB60527-01	8-iodoisoquinoline
sc-264841	1-Iodoisoquinoline
sc-506381	7-Chloro-1-iodoisoquinoline
HY-W099255-01	Ethyl 4,4,4,4',4',4'-hexafluoro-DL-valinate
25725310-01	4,4'-Sulfonyldiphenol (4,4'-Dihydroxydiphenylsulfone)
JXB85075-01	4,4,4-Trifluorobutanethioamide
433631-01	4,4',4''-Methanetriyltrianiline
sc-262190	4,4,4-Trifluorobutyraldehyde