AG0094EO

1082950-96-6 | 4-Chloro-3-iodo-1H-pyrazolo[3,4-d]pyrimidine

AG0094EO

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CAS Number	1082950-96-6
Catalog Number	AG0094EO(AGN-PC-0WAA91)
Chemical Name	4-Chloro-3-iodo-1H-pyrazolo[3,4-d]pyrimidine
IUPAC Name	4-chloro-3-iodo-2H-pyrazolo[3,4-d]pyrimidine
InChI	InChI=1S/C5H2ClIN4/c6-3-2-4(7)10-11-5(2)9-1-8-3/h1H,(H,8,9,10,11)
InChI Key	IATZWLQPWGDNDQ-UHFFFAOYSA-N
MDL Number	MFCD11559017
Molecular Formula	C5H2ClIN4
Molecular Weight	280.4537
SMILES	IC1=NNC2=NC=NC(Cl)=C21
Synonyms	4-chloro-3-iodo-1H-pyrazolo[3,4-d]pyrimidine, 1082950-96-6, 4-chloro-3-iodo-2H-pyrazolo[3,4-d]pyrimidine, SCHEMBL311873, DTXSID60718896, IATZWLQPWGDNDQ-UHFFFAOYSA-N, BCP19352, CS-B1698, PS-J-065, MFCD11559017, ZINC40434496, AKOS025290716, FCH1404791, SB11056, AK170370, AS-50806, SC-90925, AX8225623, 1h-pyrazolo[3,4-d]pyrimidine,4-chloro-3-iodo-,

Complexity	157
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	279.901g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	280.453g/mol
Monoisotopic Mass	279.901g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	54.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

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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