AG00G5RA

7752-74-1 | 5-IODO-6-METHYLPYRIMIDIN-4-OL

AG00G5RA

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CAS Number	7752-74-1
Catalog Number	AG00G5RA(AGN-PC-0JTUYO)
Chemical Name	5-IODO-6-METHYLPYRIMIDIN-4-OL
IUPAC Name	5-iodo-4-methyl-1H-pyrimidin-6-one
InChI	InChI=1S/C5H5IN2O/c1-3-4(6)5(9)8-2-7-3/h2H,1H3,(H,7,8,9)
InChI Key	XHNGJGWIEPTDEH-UHFFFAOYSA-N
MDL Number	MFCD00234074
Molecular Formula	C5H5IN2O
Molecular Weight	236.0105
SMILES	O=C1N=CNC(C)=C1I
Synonyms	7752-74-1, 5-iodo-6-methylpyrimidin-4-ol, 5-Iodo-6-methylpyrimidin-4(1H)-one, 4-hydroxy-5-iodo-6-methylpyrimidine, XHNGJGWIEPTDEH-UHFFFAOYSA-N, 5-iodo-6-methyl-1H-pyrimidin-4-one, 5-Iodo-6-methyl-3H-pyrimidin-4-one, 4-Pyrimidinol, 5-iodo-6-methyl-, AC1LDDRN, SCHEMBL503673, CTK7C3088, KS-00000RRK, DTXSID20346957, 5-Iodo-6-methyl-4-pyrimidinol #, ZINC8672848, EBD583162, MFCD00234074, SBB098497, 4-hydroxy-5-iodo-6-methyl pyrimidine, 5-Iodo-6-methyl-4(3H)-pyrimidinone, AKOS022174133, GS-5699, AJ-57875, AK138522, Pyrimidine, 4-hydroxy-5-iodo-6-methyl-, SC-49936, CS-0041714, FT-0696101, ST24044810, Y5104, 5-iodo-6-methyl-1,4-dihydropyrimidin-4-one, AC-907/25004407, C5H5IN2O, CID616708, ZINC00330817, ACN-051630,

Complexity	207
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	235.945g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	236.012g/mol
Monoisotopic Mass	235.945g/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
Hazard statements	H302-H315-H319
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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