Ethyl 6-chloronicotinate

CAT: 1596-AR-T06326-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-T06326-01Size:10 Units

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CAS Number

49608-01-7

Molecular Formula

C8H8ClNO2

Molecular Weight

185.61

API Name

Tazarotene

Chemical Information

Ethyl 6-chloronicotinate

CAS Number	49608-01-7
PubChem CID	2799611
IUPAC Name	ethyl 6-chloropyridine-3-carboxylate
Molecular Formula	C8H8ClNO2
Molecular Weight	185.61
XLogP	2.3
Topological Polar Surface Area	39.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	12
Formal Charge	0
Complexity	163

SMILES

CCOC(=O)C1=CN=C(C=C1)Cl

InChI

InChI=1S/C8H8ClNO2/c1-2-12-8(11)6-3-4-7(9)10-5-6/h3-5H,2H2,1H3

InChIKey

ILDJJTQWIZLGPO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 49608-01-7

CID: 2799611

Formula: C8H8ClNO2

MW: 185.61

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	185.61
XLogP3	2.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	185.0243562
Monoisotopic Mass	185.0243562
Topological Polar Surface Area	39.2 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	163
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
AR-C05989-01	Ethyl 6-Bromoheptanoate
AR-A05433-01	Ethyl Acetoacetate Impurity 6
AR-F09663-01	Ethyl 6,8-Dichlorooctanoate
AR-F09664-01	Ethyl-6-oxo-8-Chloroctanoate
AR-T01866-01	Ethyl 8-chloro-6-hydroxyoctanoate
AR-K01688-01	Ketorolac 6-Benzoyl Ethyl Ester Impurity
AR-P31808-01	1-Ethyl-6-methyl-3-piperidinol
AR-V01837-01	6-ethyl-5-fluoropyrimidin-4-ol
AR-P06269-01	4- (4-Ethyl-2,6-diiodophenoxy) -2,6-diiodo-phenol
AR-F09662-01	(6R) -6,8-Dihydroxyoctanoic acid ethyl ester

Catalog	Name
OR29759-01	Ethyl 6-chloronicotinate
HY-W002340R	Ethyl 6-chloronicotinate (Standard)
RG-C092027-01	Ethyl 6-amino-4-chloronicotinate
RG-E140851-01	Ethyl 4-amino-6-chloronicotinate
OR1096239	Ethyl 5-bromo-6-chloronicotinate
OR110392	Ethyl 6-amino-5-chloronicotinate
TRC-E415135-500MG	Ethyl 6-Bromo-2-chloronicotinate
OR83990-01	Ethyl 4-bromo-6-chloronicotinate
237691-01	Ethyl 6-chloronicotinate 99+% (GC)
sc-263187A	Ethyl 2-chloronicotinate