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

Ethyl 6-Chloro-5-methylpyrimidine-4-carboxylate - CAS 1232059-52-7

Catalog:	BB005643
Product Name:	Ethyl 6-Chloro-5-methylpyrimidine-4-carboxylate
CAS:	1232059-52-7
Synonyms:	6-chloro-5-methyl-4-pyrimidinecarboxylic acid ethyl ester; ethyl 6-chloro-5-methylpyrimidine-4-carboxylate

Technical Data

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Computed Properties

IUPAC Name:	ethyl 6-chloro-5-methylpyrimidine-4-carboxylate
Description:	Ethyl 6-Chloro-5-methylpyrimidine-4-carboxylate (CAS# 1232059-52-7) is a useful research chemical.
Molecular Weight:	200.62
Molecular Formula:	C8H9ClN2O2
Canonical SMILES:	CCOC(=O)C1=C(C(=NC=N1)Cl)C
InChI:	InChI=1S/C8H9ClN2O2/c1-3-13-8(12)6-5(2)7(9)11-4-10-6/h4H,3H2,1-2H3
InChI Key:	CRWGVNPMHWCPJG-UHFFFAOYSA-N
LogP:	1.61510

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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:	2.1