Ethyl 4-Chloropyrimidine-2-carboxylate - CAS 944906-70-1

Catalog:	BB041380
Product Name:	Ethyl 4-Chloropyrimidine-2-carboxylate
CAS:	944906-70-1
Synonyms:	4-chloro-2-pyrimidinecarboxylic acid ethyl ester; ethyl 4-chloropyrimidine-2-carboxylate

Technical Data

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Computed Properties

IUPAC Name:	ethyl 4-chloropyrimidine-2-carboxylate
Description:	Ethyl 4-Chloropyrimidine-2-carboxylate (CAS# 944906-70-1) is a useful research chemical.
Molecular Weight:	186.60
Molecular Formula:	C7H7ClN2O2
Canonical SMILES:	CCOC(=O)C1=NC=CC(=N1)Cl
InChI:	InChI=1S/C7H7ClN2O2/c1-2-12-7(11)6-9-4-3-5(8)10-6/h3-4H,2H2,1H3
InChI Key:	BPEDRZJHMPCNRB-UHFFFAOYSA-N
Storage:	Inert atmosphere, 2-8 °C

Publication Number	Title	Priority Date
EP-3080101-A1	Monocyclic pyrimidine/pyridine compounds as inhibitors of p97 complex	20131210
TW-201605832-A	Monocyclic pyrimidine/pyridine compound as inhibitor of p97 complex	20131210
US-2016304495-A1	Monocyclic pyrimidine/pyridine compounds as inhibitors of p97 complex	20131210
US-9868722-B2	Monocyclic pyrimidine/pyridine compounds as inhibitors of P97 complex	20131210
WO-2015089218-A1	Monocyclic pyrimidine/pyridine compounds as inhibitors of p97 complex	20131210

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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:	166
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	186.0196052
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	186.0196052
Rotatable Bond Count:	3
Topological Polar Surface Area:	52.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7