3-chloro-1-ethyl-1,2-dihydropyrazin-2-one - CAS 58909-71-0

Catalog:	BB030200
Product Name:	3-chloro-1-ethyl-1,2-dihydropyrazin-2-one
CAS:	58909-71-0
Synonyms:	3-chloro-1-ethyl-2-pyrazinone; 3-chloro-1-ethylpyrazin-2-one

Technical Data

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Computed Properties

IUPAC Name:	3-chloro-1-ethylpyrazin-2-one
Description:	3-chloro-1-ethyl-1,2-dihydropyrazin-2-one (CAS# 58909-71-0) is a useful research chemical.
Molecular Weight:	158.585
Molecular Formula:	C6H7ClN2O
Canonical SMILES:	CCN1C=CN=C(C1=O)Cl
InChI:	InChI=1S/C6H7ClN2O/c1-2-9-4-3-8-5(7)6(9)10/h3-4H,2H2,1H3
InChI Key:	DOJHQENGHOKCAX-UHFFFAOYSA-N
LogP:	0.91660

Publication Number	Title	Priority Date
KR-790001023-B1	Method for preparing acyl derivative	19750620
CA-1111021-A	Acyl derivatives	19740621
CA-1240314-A	Acyl derivatives	19740621
DK-153155-B	Analogy procedure for the preparation of cephalosporines	19740621
DK-155329-B	7-aminocephalosporines used as intermediates in the preparation of therapeutic effective 7-acylamino-cephalosporines	19740621

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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:	210
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	158.0246905
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	158.0246905
Rotatable Bond Count:	1
Topological Polar Surface Area:	32.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.9