Methyl 4-chloronicotinate hydrochloride - CAS 1351479-18-9

Catalog:	BB075946
Product Name:	Methyl 4-chloronicotinate hydrochloride
CAS:	1351479-18-9
Synonyms:	Methyl 4-chloronicotinate hydrochloride; Methyl 4-chloronicotinate, HCl; METHYL 4-CHLORONICOTINATE HCL; methyl 4-chloropyridine-3-carboxylate; hydrochloride; methyl 4-chloropyridine-3-carboxylate hydrochloride; Methyl4-chloronicotinatehydrochloride

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	methyl 4-chloropyridine-3-carboxylatehydrochloride
Description:	Methyl 4-chloronicotinate, HCl
Molecular Weight:	208.04
Molecular Formula:	C7H7Cl2NO2
Canonical SMILES:	COC(=O)C1=C(C=CN=C1)Cl.Cl
InChI:	InChI=1S/C7H6ClNO2.ClH/c1-11-7(10)5-4-9-3-2-6(5)8/h2-4H,1H31H
InChI Key:	AUWPABULCGRBCE-UHFFFAOYSA-N

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	151
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	206.9853839
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	206.9853839
Rotatable Bond Count:	2
Topological Polar Surface Area:	39.2Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0