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Ethyl 4-Chloro-6-methylpyrimidine-5-carboxylate

Ethyl 4-Chloro-6-methylpyrimidine-5-carboxylate - CAS 157981-60-7

Catalog:	BB011377
Product Name:	Ethyl 4-Chloro-6-methylpyrimidine-5-carboxylate
CAS:	157981-60-7
Synonyms:	4-chloro-6-methyl-5-pyrimidinecarboxylic acid ethyl ester; ethyl 4-chloro-6-methylpyrimidine-5-carboxylate

Technical Data

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Patents

Computed Properties

IUPAC Name:	ethyl 4-chloro-6-methylpyrimidine-5-carboxylate
Description:	Ethyl 4-Chloro-6-methylpyrimidine-5-carboxylate (CAS# 157981-60-7) is a useful research chemical.
Molecular Weight:	200.62
Molecular Formula:	C8H9ClN2O2
Canonical SMILES:	CCOC(=O)C1=C(N=CN=C1Cl)C
InChI:	InChI=1S/C8H9ClN2O2/c1-3-13-8(12)6-5(2)10-4-11-7(6)9/h4H,3H2,1-2H3
InChI Key:	QRMLCDFPZGCELR-UHFFFAOYSA-N
LogP:	1.61510

Publication Number	Title	Priority Date
TW-202003510-A	Oxadiazole transient receptor potential channel inhibitors	20180319
US-2019284179-A1	Oxadiazole transient receptor potential channel inhibitors	20180319
WO-2019182925-A1	Oxadiazole transient receptor potential channel inhibitors	20180319
AU-2019237992-A1	Oxadiazole transient receptor potential channel inhibitors	20180319
CN-111867585-A	Oxadiazole transient receptor potential channel inhibitors	20180319

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Carbonyl Compounds

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1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid

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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+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	189
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	200.0352552
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	200.0352552
Rotatable Bond Count:	3
Topological Polar Surface Area:	52.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8