AG009631

105985-17-9 | 3-chloropyrazin-2-ol

AG009631

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CAS Number	105985-17-9
Catalog Number	AG009631(AGN-PC-03R5BH)
Chemical Name	3-chloropyrazin-2-ol
IUPAC Name	3-chloro-1H-pyrazin-2-one
InChI	InChI=1S/C4H3ClN2O/c5-3-4(8)7-2-1-6-3/h1-2H,(H,7,8)
InChI Key	GRTBIIMNXROPAX-UHFFFAOYSA-N
MDL Number	MFCD18427098
Molecular Formula	C4H3ClN2O
Molecular Weight	130.5324
SMILES	O=C1C(Cl)=NC=CN1
Synonyms	3-Chloropyrazin-2(1H)-one, 105985-17-9, 3-Chloropyrazin-2-ol, 3-chloro-1,2-dihydropyrazin-2-one, 2-Chloro-3-hydroxypyrazine, 3-chloro pyrazinone, SCHEMBL940899, 2(1H)-Pyrazinone, 3-chloro-, DTXSID40626844, 3-CHLORO-1H-PYRAZIN-2-ONE, MFCD18427098, ZINC43536705, AKOS010966813, AKOS016012977, BS-3624, NE58580, KS-000023I1, AK126288, DA-15888, AJ-108694, BB 0261547, FT-0719395, EN300-91688, F8880-2882, N/A,

Complexity	173
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	129.993g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	130.531g/mol
Monoisotopic Mass	129.993g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	41.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H302-H315-H319-H335
Packing Group	\N
Precautionary statements	P261-P305+P351+P338
UN Code	\N

Certificate of Analysis

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