AG008Z10

120977-94-8 | 2,6-dichloro-pyrimidin-4-ol

AG008Z10

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CAS Number	120977-94-8
Catalog Number	AG008Z10(AGN-PC-0KZUG8)
Chemical Name	2,6-dichloro-pyrimidin-4-ol
IUPAC Name	2,4-dichloro-1H-pyrimidin-6-one
InChI	InChI=1S/C4H2Cl2N2O/c5-2-1-3(9)8-4(6)7-2/h1H,(H,7,8,9)
InChI Key	PVXOAKRQJOOIQX-UHFFFAOYSA-N
MDL Number	MFCD00955562
Molecular Formula	C4H2Cl2N2O
Molecular Weight	164.9775
SMILES	ClC=1NC(=CC(N1)=O)Cl
Synonyms	2,6-Dichloro-3H-pyrimidin-4-one, 120977-94-8, 2,6-dichloro-1H-pyrimidin-4-one, 2,6-Dichloropyrimidin-4(3H)-one, 2,6-DICHLOROPYRIMIDIN-4-OL, 2,6-dichloro-pyrimidin-4-ol, 2,6-dichloropyrimidin-4(1H)-one, 2,6-DICHLORO-4(1H)-PYRIMIDINONE, AC1MXVQ9, 2,4-DICHLORO-6-(HYDROXY)PYRIMIDINE, SCHEMBL7661837, SCHEMBL13019561, CTK8B5730, DTXSID70396205, PVXOAKRQJOOIQX-UHFFFAOYSA-N, ZINC5286127, 2,6-DICHLORO-4-PYRIMIDINOL, ANW-49849, MFCD14560543, AKOS006333863, AKOS015920085, AKOS015946471, MB10267, AJ-53757, AK-65322, BR-65322, DA-14371, DS-15849, 2,6-dichloro-3,4-dihydropyrimidin-4-one, AB0035175, AX8216245, 4CH-001500, CS-0012669, FT-0707081, X9460, S-6643, C4H2Cl2N2O, CID3772165,

Complexity	209
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	163.954g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	164.973g/mol
Monoisotopic Mass	163.954g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	41.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number