Ethyl 4,6-Dichloro-2-methylnicotinate - CAS 686279-09-4

Catalog:	BB033597
Product Name:	Ethyl 4,6-Dichloro-2-methylnicotinate
CAS:	686279-09-4
Synonyms:	4,6-dichloro-2-methyl-3-pyridinecarboxylic acid ethyl ester; ethyl 4,6-dichloro-2-methylpyridine-3-carboxylate

Technical Data

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Computed Properties

IUPAC Name:	ethyl 4,6-dichloro-2-methylpyridine-3-carboxylate
Description:	Ethyl 4,6-Dichloro-2-methylnicotinate (CAS# 686279-09-4) is a useful research chemical.
Molecular Weight:	234.08
Molecular Formula:	C9H9Cl2NO2
Canonical SMILES:	CCOC(=O)C1=C(N=C(C=C1Cl)Cl)C
InChI:	InChI=1S/C9H9Cl2NO2/c1-3-14-9(13)8-5(2)12-7(11)4-6(8)10/h4H,3H2,1-2H3
InChI Key:	LNIMLSAAPISOEC-UHFFFAOYSA-N
MDL:	MFCD05666193
LogP:	2.87350

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	213
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	233.0010339
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	233.0010339
Rotatable Bond Count:	3
Topological Polar Surface Area:	39.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.1