AG001TCJ

1627-28-7 | 2,4(1H,3H)-Pyrimidinedione, 6-chloro-5-methyl-

AG001TCJ

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CAS Number	1627-28-7
Catalog Number	AG001TCJ(AGN-PC-0KNUWI)
Chemical Name	2,4(1H,3H)-Pyrimidinedione, 6-chloro-5-methyl-
IUPAC Name	6-chloro-5-methyl-1H-pyrimidine-2,4-dione
InChI	InChI=1S/C5H5ClN2O2/c1-2-3(6)7-5(10)8-4(2)9/h1H3,(H2,7,8,9,10)
InChI Key	HOCVPMXPWHBCSK-UHFFFAOYSA-N
MDL Number	MFCD01011765
Molecular Formula	C5H5ClN2O2
Molecular Weight	160.5584
SMILES	CC1C(=O)NC(=O)N=C1Cl
Synonyms	6-Chlorothymine, 1627-28-7, Thymine, 6-chloro-, 6-CHLORO-5-METHYL-2,4(1H,3H)-PYRIMIDINEDIONE, 6-chloro-5-methyl-1H-pyrimidine-2,4-dione, SCHEMBL5259684, SCHEMBL10746044, CTK4D1318, DTXSID70167437, HOCVPMXPWHBCSK-UHFFFAOYSA-N, 8259AA, ANW-68194, ZINC25495009, AKOS016007225, 5-Methyl-6-chloropyrimidine-2,4-dione, AC-25146, 4CH-021793, 6-chloranyl-5-methyl-1H-pyrimidine-2,4-dione, 2,4(1H,3H)-Pyrimidinedione,6-chloro-5-methyl-, 627C287, A810410, 6-chloro-5-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione, 6-Chlor-Thymin, 6-Chloro-5-methylpyrimidine-2,4(1H,3H)-dione, C5H5ClN2O2, AC1MHZ1B, 6-Chloro-5-methyluracil, C5-H5-Cl-N2-O2, CID3014023, AJ-82018, AN-49569,

Complexity	234
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	160.003955g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	160.56g/mol
Monoisotopic Mass	160.003955g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	58.2Ų
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
Signal Words	warning
UN Code

Certificate of Analysis

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