AG002LTB

23000-43-3 | 1H-Pyrazolo[3,4-d]pyrimidine, 4-chloro-1-methyl-

AG002LTB

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CAS Number	23000-43-3
Catalog Number	AG002LTB(AGN-PC-0JN9RI)
Chemical Name	1H-Pyrazolo[3,4-d]pyrimidine, 4-chloro-1-methyl-
IUPAC Name	4-chloro-1-methylpyrazolo[3,4-d]pyrimidine
InChI	InChI=1S/C6H5ClN4/c1-11-6-4(2-10-11)5(7)8-3-9-6/h2-3H,1H3
InChI Key	AVFLNALVPBLGEV-UHFFFAOYSA-N
MDL Number	MFCD00661967
Molecular Formula	C6H5ClN4
Molecular Weight	168.5837
NSC Number	1424
SMILES	CN1N=CC2=C(Cl)N=CN=C21
Synonyms	4-chloro-1-methyl-1H-pyrazolo[3,4-d]pyrimidine, 23000-43-3, 4-chloro-1-methylpyrazolo[3,4-d]pyrimidine, NSC1424, NSC-1424, CHEMBL375123, 1H-Pyrazolo[3,4-d]pyrimidine,4-chloro-1-methyl-, 1H-Pyrazolo[3,4-d]pyrimidine, 4-chloro-1-methyl-, 4-chloro-1-methylpyrazolo[5,4-d]pyrimidine, PubChem18649, AC1L57FF, NCIStruc1_000123, NCIStruc2_000250, SCHEMBL13510, AC1Q3Q01, AC1Q40F9, CTK4F0658, DTXSID40277274, NCI1424, AVFLNALVPBLGEV-UHFFFAOYSA-N, KS-000006XP, ZINC1576821, ANW-49192, BDBM50195863, CCG-37951, CL3547, MFCD00661967, NCGC00013007, SBB039490, STL252686, AKOS000117913, CS-W018697, MCULE-7980043347, PB24673, PS-3103, QC-4041, RP02578, TRA0080764, NCGC00013007-02, NCGC00096134-01, AJ-27337, AK-27666, BR-27666, CJ-05423, CJ-24964, NCI60_000927, SY007121, AB0023595, AB1000883, ST1181176, TC-137937, 1-Methyl-4-chloropyrazolo[3,4-d]pyrimidine, 4CH-003890, AM20090237, FT-0692438, ST45179106, W4677, EN300-26080, MFCD00661967 (95%), S-3943, 1-Methyl-4-chloro-1H-pyrazolo[3,4-d]pyrimidine, W-206797, I14-17494, 4-CHLORO-1-METHYL-1H-PYRAZOL[3,4-D]PYRIMIDINE, F1902-0043, null, C6H5ClN4, AR-1G1474, CID219751, 26138-18-1,

Complexity	154
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	168.02g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	168.584g/mol
Monoisotopic Mass	168.02g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	43.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.1

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number