5-Bromo-6-chloropyrazin-2-ol - CAS 913282-74-3

Catalog:	BB072546
Product Name:	5-Bromo-6-chloropyrazin-2-ol
CAS:	913282-74-3
Synonyms:	5-Bromo-6-chloropyrazin-2-ol; 5-Bromo-6-chloropyrazin-2(1H)-one; 5-bromo-6-chloro-1H-pyrazin-2-one; 5-Bromo-6-chloro-2(1H)-pyrazinone; 5-bromo-6-chloro-1,2-dihydropyrazin-2-one

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	5-bromo-6-chloro-1H-pyrazin-2-one
Molecular Weight:	209.43
Molecular Formula:	C4H2N2OClBr
Canonical SMILES:	C1=NC(=C(NC1=O)Cl)Br
InChI:	InChI=1S/C4H2BrClN2O/c5-3-4(6)8-2(9)1-7-3/h1H,(H,8,9)
InChI Key:	DETUORWCDWYCHL-UHFFFAOYSA-N

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	211
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	207.9039
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	207.9039
Rotatable Bond Count:	0
Topological Polar Surface Area:	41.5Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1