AG000PRM

1198569-35-5 | Pyrazolo[1,5-a]pyrimidin-5(4H)-one, 3-bromo-

AG000PRM

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CAS Number	1198569-35-5
Catalog Number	AG000PRM(AGN-PC-0WA8CJ)
Chemical Name	Pyrazolo[1,5-a]pyrimidin-5(4H)-one, 3-bromo-
IUPAC Name	3-bromo-4H-pyrazolo[1,5-a]pyrimidin-5-one
InChI	InChI=1S/C6H4BrN3O/c7-4-3-8-10-2-1-5(11)9-6(4)10/h1-3H,(H,9,11)
InChI Key	ZBAOMHWFUFZVNN-UHFFFAOYSA-N
MDL Number	MFCD12406134
Molecular Formula	C6H4BrN3O
Molecular Weight	214.0195
SMILES	O=C1NC2=C(Br)C=NN2C=C1
Synonyms	3-bromopyrazolo[1,5-a]pyrimidin-5(4H)-one, 1198569-35-5, 3-BROMOPYRAZOLO[1,5-A]PYRIMIDIN-5-OL, 3-bromo-4H,5H-pyrazolo[1,5-a]pyrimidin-5-one, 3-bromo-4H-pyrazolo[1,5-a]pyrimidin-5-one, PubChem20880, 3-Bromopyrazolo[1,5-a]pyrimidin-5(1H)-one, SCHEMBL1441434, CTK7H4244, DTXSID60670667, ZBAOMHWFUFZVNN-UHFFFAOYSA-N, MFCD12406134, SBB094873, ZINC43828367, AKOS005073890, AKOS017550557, ZINC198030612, MCULE-7284578519, NE54412, QC-5344, BC004601, SC-68515, AB0047298, AJ-109059, TR-070788, CS-0080421, ST24041978, Pyrazolo[1,5-a]pyrimidin-5(4H)-one, 3-bromo-, 3-bromo-4,8-dihydropyrazolo[1,5-a]pyrimidin-5-one,

Complexity	218
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	212.954g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	214.022g/mol
Monoisotopic Mass	212.954g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	46.9A^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-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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