AG00DELN

54738-73-7 | 3-bromo-1H-pyrazolo[3,4-d]pyrimidin-4-ol

AG00DELN

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CAS Number	54738-73-7
Catalog Number	AG00DELN(AGN-PC-0OC3XZ)
Chemical Name	3-bromo-1H-pyrazolo[3,4-d]pyrimidin-4-ol
IUPAC Name	3-bromo-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one
InChI	InChI=1S/C5H3BrN4O/c6-3-2-4(10-9-3)7-1-8-5(2)11/h1H,(H2,7,8,9,10,11)
InChI Key	KAHCKNUEZSETEP-UHFFFAOYSA-N
MDL Number	MFCD00835293
Molecular Formula	C5H3BrN4O
Molecular Weight	215.0075
NSC Number	344532
SMILES	BrC1=NNC(NC=N2)=C1C2=O
Synonyms	54738-73-7, 3-Bromo-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, 3-Bromo-1H-pyrazolo[3,4-d]pyrimidin-4-ol, 3-Bromo-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one, 3-bromo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one, 4H-Pyrazolo[3,4-d]pyrimidin-4-one,3-bromo-1,5-dihydro-, 4H-Pyrazolo[3,4-d]pyrimidin-4-one, 3-bromo-1,5-dihydro-, NSC344532, AC1L7HFS, AC1Q25DD, KSC602K0J, SCHEMBL6433606, CTK5A2504, KAHCKNUEZSETEP-UHFFFAOYSA-, DTXSID20319383, KAHCKNUEZSETEP-UHFFFAOYSA-N, KS-00002X0R, ZINC8659457, ANW-51499, MFCD00835293, AKOS004910255, AKOS015836068, AKOS015962529, CS-W005605, FS-2744, NE59777, NSC-344532, AC-17201, AJ-57860, AK-24180, BR-24180, EN001247, AB0025432, DB-071903, 3-bromo-4-hydroxypyrazolo[3,4-d]pyrimidine, 4CH-006135, FT-0646318, W6896, 3-Bromo-1H-pyrazolo[3,4-d]pyrimidin-4-ol;, EN300-69226, S-3634, 3-bromo-1H,5H-pyrazolo[3,4-d]pyrimidin-4-one, 3-Bromo-1H-pyrazolo[3,4-d]pyrimidin-4(7H)-one, 3-bromo-1,2-dihydropyrazolo[3,4-d]pyrimidin-4-one, 3-Bromo-1,2-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, 3-Bromo-1,5-dihydro-4H-pyrazolo-[3,4-d]pyrimidin-4-one, InChI=1/C5H3BrN4O/c6-3-2-4(10-9-3)7-1-8-5(2)11/h1H,(H2,7,8,9,10,11), C5H3BrN4O, CID335419,

Complexity	219
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	213.949g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	215.01g/mol
Monoisotopic Mass	213.949g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	70.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302+H312+H332-H315-H317-H319-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number