Methyl 3-Chloropyrazine-2-carboxylate - CAS 27825-21-4

Catalog:	BB019681
Product Name:	Methyl 3-Chloropyrazine-2-carboxylate
CAS:	27825-21-4
Synonyms:	3-chloro-2-pyrazinecarboxylic acid methyl ester; methyl 3-chloropyrazine-2-carboxylate

Technical Data

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Computed Properties

IUPAC Name:	methyl 3-chloropyrazine-2-carboxylate
Description:	Methyl 3-Chloropyrazine-2-carboxylate (CAS# 27825-21-4) is a compound useful in organic synthesis.
Molecular Weight:	172.57
Molecular Formula:	C6H5ClN2O2
Canonical SMILES:	COC(=O)C1=NC=CN=C1Cl
InChI:	InChI=1S/C6H5ClN2O2/c1-11-6(10)4-5(7)9-3-2-8-4/h2-3H,1H3
InChI Key:	SSXOFWYPCZOGBM-UHFFFAOYSA-N
Boiling Point:	249.7 °C at 760 mmHg
Density:	1.372 g/cm³
MDL:	MFCD03093326
LogP:	0.91660

Publication Number	Title	Priority Date
WO-2021198149-A1	Substituted 3-phenoxyazetidin-1-yl-pyrazines having gpr52 agonistic activity	20200330
WO-2021113362-A1	Sstr5 antagonists	20191203
WO-2021102204-A1	Heteroaryl compounds	20191120
WO-2019208614-A1	Resin composition, laminate, resin composition layer-attached semiconductor wafer, substrate for mounting resin composition layer-attached semiconductor, and semiconductor device	20180426
CN-112004845-A	Resin composition, laminate, semiconductor wafer with resin composition layer, substrate for mounting semiconductor with resin composition layer, and semiconductor device	20180426

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	154
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	172.0039551
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	172.0039551
Rotatable Bond Count:	2
Topological Polar Surface Area:	52.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.8