AG006AB0

944903-06-4 | 3-Bromo-6-chloro-1H-pyrazolo[3,4-d]pyrimidine

AG006AB0

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CAS Number	944903-06-4
Catalog Number	AG006AB0(AGN-PC-0WAI66)
Chemical Name	3-Bromo-6-chloro-1H-pyrazolo[3,4-d]pyrimidine
IUPAC Name	3-bromo-6-chloro-2H-pyrazolo[3,4-d]pyrimidine
InChI	InChI=1S/C5H2BrClN4/c6-3-2-1-8-5(7)9-4(2)11-10-3/h1H,(H,8,9,10,11)
InChI Key	HITNWCAUPNRMES-UHFFFAOYSA-N
MDL Number	MFCD10697158
Molecular Formula	C5H2BrClN4
Molecular Weight	233.4532
SMILES	ClC1=NC2=C(C=N1)C(Br)=NN2
Synonyms	3-Bromo-6-chloro-1H-pyrazolo[3,4-d]pyrimidine, 944903-06-4, 3-bromo-6-chloro-2H-pyrazolo[3,4-d]pyrimidine, CTK5H6730, DTXSID60681031, 6195AC, ANW-72640, MFCD10697158, ZINC64034317, AKOS015836080, AB59137, FCH1400982, RP28077, AK-31687, DS-11467, AJ-114789, AX8163654, TR-038522, J-512064, C5H2BrClN4,

Complexity	157
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	231.915g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	233.453g/mol
Monoisotopic Mass	231.915g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	54.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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