AG003MZT

18592-13-7 | 6-(Chloromethyl)pyrimidine-2,4(1H,3H)-dione

AG003MZT

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CAS Number	18592-13-7
Catalog Number	AG003MZT(AGN-PC-0JLB0L)
Chemical Name	6-(Chloromethyl)pyrimidine-2,4(1H,3H)-dione
EC Number	242-431-9
IUPAC Name	6-(chloromethyl)-1H-pyrimidine-2,4-dione
InChI	InChI=1S/C5H5ClN2O2/c6-2-3-1-4(9)8-5(10)7-3/h1H,2H2,(H2,7,8,9,10)
InChI Key	VCFXBAPEXBTNEA-UHFFFAOYSA-N
MDL Number	MFCD00010095
Molecular Formula	C5H5ClN2O2
Molecular Weight	160.5584
SMILES	O=C1NC(C=C(CCl)N1)=O
Synonyms	4-(chloromethyl)uracil, 4-chloromethyluracil, 6-(Chloromethyl)uracil, 18592-13-7, 6-(chloromethyl)pyrimidine-2,4(1h,3h)-dione, 6-Chloromethyluracil, 2,4(1H,3H)-Pyrimidinedione, 6-(chloromethyl)-, 6-(chloromethyl)-1H-pyrimidine-2,4-dione, VCFXBAPEXBTNEA-UHFFFAOYSA-N, MFCD00010095, 6-(chloromethyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione, 6-(chloromethyl)-1,3-dihydropyrimidine-2,4-dione, 4-(Chloromethyl)uracil, EINECS 242-431-9, 6-chloromethyl-uracil, AC1L2JKV, AC1Q3TYQ, 6-(Chloromethyl)uracil?, ACMC-209en9, AC1Q3U0T, AC1Q3U0U, SCHEMBL317706, 6-(Chloromethyl)uracil, 98%, SCHEMBL8551633, DTXSID4066387, CTK3J3056, KS-00000JXI, 6-chloromethylpyrimidine-2,4-dione, BCP12290, STR05019, ZINC2008825, Uracil, 6-(chloromethyl)- (8CI), ANW-23251, BBL027772, SBB003961, STL373422, AKOS000117192, AKOS017269105, CM11021, CS-W008771, MCULE-8212962530, RP02150, 6-chloromethyl-1H-pyrimidine-2,4-dione, AC-29729, AJ-32487, AK-33844, BP-21356, CJ-31080, SC-16692, SY001115, DB-044574, 4CH-024407, C1057, FT-0621079, ST51040026, Y8074, EN300-11300, MFCD00010095 (97%), 6-(Chloromethyl)-2,4(1H,3H)-pyrimidinedione, X-1167, 592C137, 6-(Chloromethyl)-2,4(1H,3H)-pyrimidinedione #, I14-1419, C5H5ClN2O2, C5-H5-Cl-N2-O2, CID73273, AR-1G9946, ZINC02008825, 6-(Chloromethyl)uracil, 98% - 1G 1g, 1902-03-0,

Complexity	212
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	160.004g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	160.557g/mol
Monoisotopic Mass	160.004g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	58.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.7

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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