AG003N3H

4956-05-2 | 5-Bromo-6-azauracil

AG003N3H

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CAS Number	4956-05-2
Catalog Number	AG003N3H(AGN-PC-0JPI9L)
Chemical Name	5-Bromo-6-azauracil
IUPAC Name	6-bromo-2H-1,2,4-triazine-3,5-dione
InChI	InChI=1S/C3H2BrN3O2/c4-1-2(8)5-3(9)7-6-1/h(H2,5,7,8,9)
InChI Key	VNTFEWXYAOATFA-UHFFFAOYSA-N
MDL Number	MFCD00154757
Molecular Formula	C3H2BrN3O2
Molecular Weight	191.9709
SMILES	O=C(N1)NN=C(Br)C1=O
Synonyms	5-bromo-6-azauracil, 6-bromo-1,2,4-triazine-3,5(2H,4H)dione, 5-Bromo-6-azauracil, 4956-05-2, 6-Bromo-1,2,4-triazine-3,5(2H,4H)-dione, 6-Bromo-2,3,4,5-tetrahydro-1,2,4-triazine-3,5-dione, 6-Bromo-2H-[1,2,4]triazine-3,5-dione, 6-bromo-1,2,4-triazine-3,5-diol, 6-Bromo-as-triazine-3,5(2H,4H)-dione, as-Triazine-3,5(2H,4H)-dione, 6-bromo-, VNTFEWXYAOATFA-UHFFFAOYSA-N, 6-Bromo-[1,2,4]triazine-3,5-diol, 1,2,4-TRIAZINE-3,5(2H,4H)-DIONE, 6-BROMO-, 6-bromo-2H-1,2,4-triazine-3,5-dione, 6-bromo-2H,4H-1,2,4-triazine-3,5-dione, zlchem 20, PubChem22937, AC1L45XI, AC1Q25DC, SCHEMBL1617042, SCHEMBL18287539, CTK4J1382, KS-00003KRM, DTXSID70197835, ZLB0007, ACT01294, ALBB-017880, KS-00000NW9, ANW-47506, BBL000005, MFCD00154757, RW3342, SBB054630, STK048901, STL152628, ZINC18106308, AKOS000266405, AKOS005752683, AB03586, CB-2034, CS-W008459, FS-2660, MCULE-9793204387, NE28939, RP25136, AJ-70309, AK-32585, BAS 02998903, BC004844, BR-32585, SC-14092, SY013841, U854, DB-006986, LS-155383, 4CH-015746, BB 0242432, FT-0080907, FT-0601218, ST50181818, EN300-08087, MFCD00154757 (95%), A23418, S-3421, 1,2,4-Triazine-3,5(2H,4H)-dione,6-bromo-, 6-bromo-3,5-dioxo-(2H,4H)-1,2,4-triazine, 6-Bromo-1,2,4-triazine-3,5(2H,4H)-dione #, 6-bromo-2,4-dihydro-1,2,4-triazine-3,5-dione, 956B052, AE-641/01647016, SR-01000394060, S14-0617, SR-01000394060-1, W-200592, 6-BROMO-1,2,4-TRIAZINE-3,5-(2H,4H)-DIONE, F1207-0035, C3H2BrN3O2, CID151240, ZINC01232018, 2-(3-pyrrolidinyl)-2-propanol hydrochloride,

Complexity	199
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	190.933g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	191.972g/mol
Monoisotopic Mass	190.933g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	70.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.9

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number