Methyl 6-Bromopyrazine-2-carboxylate - CAS 40155-34-8

Catalog:	BB024331
Product Name:	Methyl 6-Bromopyrazine-2-carboxylate
CAS:	40155-34-8
Synonyms:	6-bromo-2-pyrazinecarboxylic acid methyl ester; methyl 6-bromopyrazine-2-carboxylate

Technical Data

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Computed Properties

IUPAC Name:	methyl 6-bromopyrazine-2-carboxylate
Description:	Methyl 6-Bromopyrazine-2-carboxylate (CAS# 40155-34-8) is a useful research chemical.
Molecular Weight:	217.02
Molecular Formula:	C6H5BrN2O2
Canonical SMILES:	COC(=O)C1=CN=CC(=N1)Br
InChI:	InChI=1S/C6H5BrN2O2/c1-11-6(10)4-2-8-3-5(7)9-4/h2-3H,1H3
InChI Key:	LYNSTNYSMCKCSS-UHFFFAOYSA-N
Boiling Point:	268.613 °C at 760 mmHg
Density:	1.67 g/cm³
MDL:	MFCD14155890
LogP:	1.02570

Publication Number	Title	Priority Date
WO-2020239853-A1	Microbiocidal derivatives	20190529
WO-2020030925-A1	Heterocyclic substituted ureas, for use against cancer	20180810
US-10550105-B2	Pyridazinones as PARP7 inhibitors	20180430
US-2019330194-A1	Pyridazinones as parp7 inhibitors	20180430
US-2020123134-A1	Pyridazinones as parp7 inhibitors	20180430

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GHS Hazard Statement:	H303 (100%): May be harmful if swallowed [Warning Acute toxicity, oral]
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:	215.95344
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	215.95344
Rotatable Bond Count:	2
Topological Polar Surface Area:	52.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.5