AG001ATF

1393547-40-4 | 1H-Pyrazolo[3,4-d]pyrimidine, 6-chloro-3-iodo-

AG001ATF

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CAS Number	1393547-40-4
Catalog Number	AG001ATF(AGN-PC-0WD09E)
Chemical Name	1H-Pyrazolo[3,4-d]pyrimidine, 6-chloro-3-iodo-
IUPAC Name	6-chloro-3-iodo-2H-pyrazolo[3,4-d]pyrimidine
InChI	InChI=1S/C5H2ClIN4/c6-5-8-1-2-3(7)10-11-4(2)9-5/h1H,(H,8,9,10,11)
InChI Key	YUSZIWUWJGUQFX-UHFFFAOYSA-N
MDL Number	MFCD21604208
Molecular Formula	C5H2ClIN4
Molecular Weight	280.4536
SMILES	IC1=NNC2=NC(Cl)=NC=C21
Synonyms	6-CHLORO-3-IODO-1H-PYRAZOLO[3,4-D]PYRIMIDINE, 1393547-40-4, MFCD21604208, ZINC95932952, AB76632, FCH1564119, AK-75592, DS-15911, AJ-137671, AX8219967, CS-0059016, 1H-Pyrazolo[3,4-d]pyrimidine, 6-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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