AG0030SI

3066-84-0 | 6H-Purin-6-one, 2-amino-8-bromo-1,9-dihydro-

AG0030SI

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CAS Number	3066-84-0
Catalog Number	AG0030SI(AGN-PC-0O8RNS)
Chemical Name	6H-Purin-6-one, 2-amino-8-bromo-1,9-dihydro-
EC Number	221-320-9
IUPAC Name	2-amino-8-bromo-1,7-dihydropurin-6-one
InChI	InChI=1S/C5H4BrN5O/c6-4-8-1-2(9-4)10-5(7)11-3(1)12/h(H4,7,8,9,10,11,12)
InChI Key	CRYCZDRIXVHNQB-UHFFFAOYSA-N
MDL Number	MFCD00055976
Molecular Formula	C5H4BrN5O
Molecular Weight	230.0222
NSC Number	7845
SMILES	NC(N1)=NC(NC(Br)=N2)=C2C1=O
Synonyms	8-BrGua, 8-bromoguanine, 8-Bromoguanine, 3066-84-0, 2-Amino-8-bromo-1,7-dihydro-6H-purin-6-one, 2-amino-8-bromo-9H-purin-6-ol, 2-amino-8-bromo-1,9-dihydro-6H-purin-6-one, 2-Amino-8-bromo-6-hydroxypurine, 2-amino-8-bromo-1,9-dihydropurin-6-one, 2-amino-8-bromo-3,7-dihydropurin-6-one, W-202265, BRG, EINECS 221-320-9, AC1L2QZN, AC1Q6IAY, SCHEMBL9115, 2-amino-8-bromopurin-6-ol, Oprea1_446829, Oprea1_518355, AC1Q25D1, SCHEMBL5015234, SCHEMBL9443775, CTK4G5551, CTK7E0925, 8-Bromoguanine ( 8-Br-Gua ), DTXSID10184704, NSC7845, CRYCZDRIXVHNQB-UHFFFAOYSA-N, BB_NC-01467, NSC-7845, ZINC1511379, ANW-58740, MFCD00127765, STK690363, STK832898, AKOS004115472, AKOS005623593, AKOS016002054, FCH1319525, MCULE-3647517038, AJ-26480, ST093571, 2-Amino-8-bromo-1,9-dihydro-purin-6-one, FT-0621514, 2-amino-8-bromo-6,9-dihydro-1H-purin-6-one, 6H-Purin-6-one,2-amino-8-bromo-1,9-dihydro-, 6H-Purin-6-one, 2-amino-8-bromo-1,7-dihydro-, SR-01000005785, SR-01000005785-1, 8-bromo-2-imino-2,3,6,9-tetrahydro-1H-purin-6-one, F0373-0176, F0381-3889, Purine analog, C5H4BrN5O, 2-Amino-8-bromo-1H-purin-6(7H)-one, C5-H4-Br-N5-O, CID76473, AR-1H4433, 31827-94-8,

Complexity	254
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	228.96g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	230.025g/mol
Monoisotopic Mass	228.96g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	96.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H301-H317
Packing Group	Ⅲ
Precautionary statements	P280-P301+P310
UN Code	UN 2811

Certificate of Analysis

Lot Number