3,5-Dichloro-1-methylpyrazin-2(1H)-one - CAS 87486-33-7

Catalog:	BB038494
Product Name:	3,5-Dichloro-1-methylpyrazin-2(1H)-one
CAS:	87486-33-7
Synonyms:	3,5-dichloro-1-methyl-2-pyrazinone; 3,5-dichloro-1-methylpyrazin-2-one

Technical Data

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Computed Properties

IUPAC Name:	3,5-dichloro-1-methylpyrazin-2-one
Description:	3,5-Dichloro-1-methylpyrazin-2(1H)-one (CAS# 87486-33-7 ) is a useful research chemical.
Molecular Weight:	179.00
Molecular Formula:	C5H4Cl2N2O
Canonical SMILES:	CN1C=C(N=C(C1=O)Cl)Cl
InChI:	InChI=1S/C5H4Cl2N2O/c1-9-2-3(6)8-4(7)5(9)10/h2H,1H3
InChI Key:	QHMYGZJTKUTEAB-UHFFFAOYSA-N
LogP:	1.08710

Publication Number	Title	Priority Date
WO-2021023192-A1	A crystalline form and b crystalline form of pyrazine-2(1h)-ketone compound and preparation method thereof	20190808
WO-2021023193-A1	Pyrazine-2(1h)-ketone compound preparation method	20190808
WO-2021023194-A1	Crystal forms c and e of pyrazin-2(1h)-one compound and preparation method therefor	20190808
WO-2021023195-A1	Crystal form d of pyrazine-2(1h)-ketone compound and preparation method therefor	20190808
CN-111825654-A	Phenylmethylene piperidine derivatives, preparation method, intermediates and uses thereof	20190419

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Related Functional Groups

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[1006491-92-4]
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[3149-28-8]
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[136819-11-9]
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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:	234
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	177.9700681
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	177.9700681
Rotatable Bond Count:	0
Topological Polar Surface Area:	32.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4