7-Iodoisoquinoline

CAT: 0127-OR84079-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR84079-01Size:100 mg

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

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CAS Number

75476-83-4

MDL Number

MFCD11226904

Purity

97%

Smiles

C1=C2C=CN=CC2=CC(=C1)I

Chemical Information

7-Iodoisoquinoline

CAS Number	75476-83-4
PubChem CID	12679520
IUPAC Name	7-iodoisoquinoline
Molecular Formula	C9H6IN
Molecular Weight	255.05
XLogP	2.7
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(=CC2=C1C=CN=C2)I

InChI

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

InChIKey

ZNGDFLRMZZGNEM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 75476-83-4

CID: 12679520

Formula: C9H6IN

MW: 255.05

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	255.05
XLogP3	2.7
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

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