4-Chloro-5-methoxyquinoline

CAT: 0127-OR1045858-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1045858-01Size:100 mg

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

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CAS Number

1231761-14-0

MDL Number

MFCD08063195

Purity

95%

Smiles

COC1=C2C(Cl)=CC=NC2=CC=C1

Chemical Information

4-Chloro-5-methoxyquinoline

CAS Number	1231761-14-0
PubChem CID	21399759
IUPAC Name	4-chloro-5-methoxyquinoline
Molecular Formula	C10H8ClNO
Molecular Weight	193.63
XLogP	2.8
Topological Polar Surface Area	22.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	13
Formal Charge	0
Complexity	176

SMILES

COC1=CC=CC2=NC=CC(=C21)Cl

InChI

InChI=1S/C10H8ClNO/c1-13-9-4-2-3-8-10(9)7(11)5-6-12-8/h2-6H,1H3

InChIKey

MHSPKKXMNJNWHR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1231761-14-0

CID: 21399759

Formula: C10H8ClNO

MW: 193.63

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	193.63
XLogP3	2.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	193.0294416
Monoisotopic Mass	193.0294416
Topological Polar Surface Area	22.1 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	176
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
OR309314-01	4-Bromo-8-chloro-5-methoxyquinoline
OR1096016	8-chloro-5-methoxyquinoline
OR1033380-01	7-Chloro-5-methoxyquinoline
OR81653-01	2-Chloro-5-methoxyquinoline
OR1086972	5-Chloro-6-methoxyquinoline
OR94119-01	4-Chloro-2-methoxyquinoline
OR8277-01	4-Chloro-7-methoxyquinoline
OR1097164	5-Chloro-8-methoxyquinoline
OR3635	4-Chloro-6-methoxyquinoline
OR72158	2-Chloro-4-methoxyquinoline

Catalog	Name
sc-289885	4-Amino-8-chloro-5-methoxyquinoline
sc-290073	4-Bromo-8-chloro-5-methoxyquinoline
sc-289772	4-Amino-5-chloro-8-methoxyquinoline
sc-289981A	4-Bromo-5-chloro-8-methoxyquinoline
268323-01	4-Chloro-8-methoxyquinoline
GTR19254405-01	4-Chloro-6-methoxyquinoline
KGA89307-01	2-Chloro-5-methoxyquinoline
EAA29505	4-Chloro-2-methoxyquinoline
TAB06946-01	4-Bromo-5-methoxyquinoline
XKC97495-01	2-Chloro-8-fluoro-5-methoxyquinoline