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Methyl 2,6-Dichloropyrimidine-4-carboxylate

Methyl 2,6-Dichloropyrimidine-4-carboxylate - CAS 6299-85-0

Catalog:	BB031929
Product Name:	Methyl 2,6-Dichloropyrimidine-4-carboxylate
CAS:	6299-85-0
Synonyms:	2,6-dichloro-4-pyrimidinecarboxylic acid methyl ester; methyl 2,6-dichloropyrimidine-4-carboxylate

Technical Data

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Computed Properties

IUPAC Name:	methyl 2,6-dichloropyrimidine-4-carboxylate
Description:	Methyl 2,6-Dichloropyrimidine-4-carboxylate (CAS# 6299-85-0) is a useful research chemical.
Molecular Weight:	207.01
Molecular Formula:	C6H4Cl2N2O2
Canonical SMILES:	COC(=O)C1=CC(=NC(=N1)Cl)Cl
InChI:	InChI=1S/C6H4Cl2N2O2/c1-12-5(11)3-2-4(7)10-6(8)9-3/h2H,1H3
InChI Key:	DQNQNLWKAGZNIT-UHFFFAOYSA-N
Boiling Point:	259 °C at 760 mmHg
Density:	1.249 g/cm³
MDL:	MFCD01941317
LogP:	1.57000

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WO-2021207186-A1	Cd38 inhibitors	20200407
WO-2021105908-A1	Heteroaryl compounds and therapeutic uses thereof in conditions associated with the alteration of the activity of beta-glucocerebrosidase	20191125
WO-2021086879-A1	Compounds and methods of use	20191028
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WO-2020249652-A1	Pyridyl or pyrimidyl mtor kinase inhibitors	20190613

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GHS Hazard Statement:	H302 (33.33%): 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, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	179
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	205.9649828
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	205.9649828
Rotatable Bond Count:	2
Topological Polar Surface Area:	52.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3