1-Chloro-4-hydroxyisoquinoline

CAT: 0024-sc-224614Size: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-224614Size:1 g

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CAS Number

3336-43-4

Chemical Information

1-Chloro-4-hydroxyisoquinoline

CAS Number	3336-43-4
PubChem CID	4281882
IUPAC Name	1-chloroisoquinolin-4-ol
Molecular Formula	C9H6ClNO
Molecular Weight	179.60
XLogP	2.7
Topological Polar Surface Area	33.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	12
Formal Charge	0
Complexity	165

SMILES

C1=CC=C2C(=C1)C(=CN=C2Cl)O

InChI

InChI=1S/C9H6ClNO/c10-9-7-4-2-1-3-6(7)8(12)5-11-9/h1-5,12H

InChIKey

JEVLGPVFFYUBRI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 3336-43-4

CID: 4281882

Formula: C9H6ClNO

MW: 179.60

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	179.60
XLogP3	2.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	179.0137915
Monoisotopic Mass	179.0137915
Topological Polar Surface Area	33.1 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	165
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
sc-262005	4-Hydroxyisoquinoline
sc-262005A	4-Hydroxyisoquinoline
sc-220469	1-Hydroxyisoquinoline
sc-506532	1-Hydroxyisoquinoline-5-carbonitrile
sc-254490	3-Hydroxyisoquinoline
sc-268353	7-Bromo-1-hydroxyisoquinoline
sc-262964	8-Hydroxyisoquinoline
sc-268278	6-hydroxyisoquinoline
sc-262964A	8-Hydroxyisoquinoline
sc-226979	5-Hydroxyisoquinoline

Catalog	Name
OR61534	1-Chloro-4-hydroxyisoquinoline
OR1057945-01	Methyl 1-chloro-4-hydroxyisoquinoline-3-carboxylate
OR1023779-01	(1-Chloro-4-Hydroxyisoquinoline-3-Carbonyl) Glycine
61532966	4-Hydroxyisoquinoline
OR17550-01	4-Bromo-1-hydroxyisoquinoline
OR300117	3-Chloro-7-hydroxyisoquinoline
OR300116-01	3-Chloro-6-hydroxyisoquinoline
TRC-H942875-5G	1-Hydroxyisoquinoline
232909-01	4-Bromo-1-hydroxyisoquinoline ≥96% (HPLC)
233240-01	4-Hydroxyisoquinoline ≥96% (HPLC)