AG00239S

1820-81-1 | 2,4(1H,3H)-Pyrimidinedione, 5-chloro-

AG00239S

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CAS Number	1820-81-1
Catalog Number	AG00239S(AGN-PC-0BSKC0)
Chemical Name	2,4(1H,3H)-Pyrimidinedione, 5-chloro-
EC Number	217-339-7
IUPAC Name	5-chloro-1H-pyrimidine-2,4-dione
InChI	InChI=1S/C4H3ClN2O2/c5-2-1-6-4(9)7-3(2)8/h1H,(H2,6,7,8,9)
InChI Key	ZFTBZKVVGZNMJR-UHFFFAOYSA-N
MDL Number	MFCD00006019
Molecular Formula	C4H3ClN2O2
Molecular Weight	146.5318
NSC Number	28172
SMILES	O=C(N1)NC=C(Cl)C1=O
UNII	7LQ4V03RNY
Synonyms	5-chlorouracil, 5-CHLOROURACIL, 1820-81-1, 2,4(1H,3H)-Pyrimidinedione, 5-chloro-, 5-Chloro-2,4-dihydroxypyrimidine, 5-chloropyrimidine-2,4(1H,3H)-dione, Uracil, 5-chloro-, 5-Chloro-1H-pyrimidine-2,4-dione, UNII-7LQ4V03RNY, CHEBI:60762, EINECS 217-339-7, MFCD00006019, NSC 28172, 7LQ4V03RNY, AI3-26560, ZFTBZKVVGZNMJR-UHFFFAOYSA-N, NSC28172, 5-chloro-1,3-dihydropyrimidine-2,4-dione, 5-chloro-uracil, zlchem 428, Fluorouracil Impurity E, PubChem14138, ACMC-209eim, Epitope ID:138111, AC1L26KF, SCHEMBL42227, Uracil, 5-chloro- (VAN), KSC176I6D, CHEMBL144082, Jsp003727, DTXSID7075137, CTK0H6461, CTK8G5303, CTK8H1752, CTK8H5682, KS-00000NGF, ZLC0284, ZINC1646314, 2,3H)-Pyrimidinedione, 5-chloro-, ANW-23084, NSC-28172, SBB004103, Uracil, 5-chloro- (VAN) (8CI), 5-chloranyl-1H-pyrimidine-2,4-dione, AKOS003093906, AKOS003242135, AKOS006222774, AC-8694, AM83916, AN-7745, MCULE-3005578323, RL02320, 5-Chlorouracil, ReagentPlus(R), 99%, AJ-28681, AK-45960, AS-10925, CJ-26558, HC210368, NCI60_002298, SC-09029, SY028182, 5-Chloro-2,4(1H,3H)-pyrimidinedione #, AB0008430, DB-029133, LS-158598, CS-0010970, FT-0604354, ST45025452, MFCD00006019 (98%), M-3244, 5-AE-2,4- paragraph signthornoC>>uaxa currency, 5-Chlorouracil, Vetec(TM) reagent grade, 98%, A812650, 5-chloro-1,2,3,4-tetrahydropyrimidine-2,4-dione, I03-0063, W-107804, 5-Chloropyrimidine-2,4(1H,3H)-dione (5-Chlorouracil), InChI=1/C4H3ClN2O2/c5-2-1-6-4(9)7-3(2)8/h1H,(H2,6,7,8,9, Fluorouracil Related Compound E, United States Pharmacopeia (USP) Reference Standard, 5UC, C4H3ClN2O2, C4-H3-Cl-N2-O2, 5-Chlorouracil, 98% - 1G 1g, CID15758, c0969, 2 -Pyrimidinone,5-chloro-4-hydroxy-, ACN-028657, CS-O-01151, 2,4-Pyrimidinediol, 5-chloro- (9CI), 2(1H)-Pyrimidinone, 5-chloro-4-hydroxy- (9CI), 2,4(1H,3H)-Pyrimidinedione, 5-chloro- (9CI), 4(3H)-Pyrimidinone, 5-chloro-2-hydroxy- (9CI), C010889, 107577-08-2, 164415-64-9, 210369-56-5,

Complexity	199
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	145.988g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	146.53g/mol
Monoisotopic Mass	145.988g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	58.2A^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-H320-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number