AG0033Z0

5399-92-8 | 4-Chloro-1H-pyrazolo[3,4-d]pyrimidine

AG0033Z0

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CAS Number	5399-92-8
Catalog Number	AG0033Z0(AGN-PC-04T6WF)
Chemical Name	4-Chloro-1H-pyrazolo[3,4-d]pyrimidine
IUPAC Name	4-chloro-1H-pyrazolo[3,4-d]pyrimidine
InChI	InChI=1S/C5H3ClN4/c6-4-3-1-9-10-5(3)8-2-7-4/h1-2H,(H,7,8,9,10)
InChI Key	YMXQUFUYCADCFL-UHFFFAOYSA-N
MDL Number	MFCD03030404
Molecular Formula	C5H3ClN4
Molecular Weight	154.5571
NSC Number	4937
SMILES	ClC1=NC=NC2=C1C=NN2
Synonyms	4-Chloro-1H-pyrazolo[3,4-d]pyrimidine, 5399-92-8, 1H-Pyrazolo[3,4-d]pyrimidine, 4-chloro-, 4-Chloro-1H-pyrazolo(3,4-d)pyrimidine, 4-Chloropyrazolo[3,4-d]pyrimidine, 4-chloro-1H-pyrazolo [3,4-d] pyrimidine, YMXQUFUYCADCFL-UHFFFAOYSA-N, 4-chloropyrazolo[5,4-d]pyrimidine, NSC4937, PubChem13053, AC1Q1GUY, AC1Q3HXP, AC1Q3KVF, AC1L59RR, SCHEMBL11218, KSC496Q2J, AMMD00039, CTK3J6824, DTXSID20277919, HMS1652C11, ACT08105, ALBB-019908, BCP26825, CS-D1776, EBD52723, NSC-4937, PS-J-117, ZINC3865628, ANW-49797, BBL100167, MFCD03030404, SBB039488, STL227745, AKOS000266347, 4-Chloro-1H-pyrazolo-3,4-dpyrimidine, AC-3600, ACN-025290, CC-1594, MCULE-3945257090, MF-0708, PB20011, QC-4398, RP01862, RP21751, RTC-010569, SDCCGMLS-0065537.P001, TRA0025266, 4-chloro-1H-pyrazolo[3,4-d]pyrmidine, 4-chloro-2H-pyrazolo[3,4-d]pyrimidine, 4-chloro-5H-pyrazolo[3,4-d]pyrimidine, AJ-46260, AK-24692, AN-12801, BR-24692, CJ-10971, EN000805, HC210275, SC-48379, SY005568, 4-Chloro-1H- pyrazolo[3,4-d]pyrimidine, AB0006761, AB1011614, DB-031258, ST1271479, TC-010569, 4CH-000974, BB 0257719, FT-0649592, M6333, ST45174716, W6830, EN300-27216, C-1435, MFCD03030404 (95+%), 399C928, F0909-0060, Z1993522409, null, C5H3ClN4, AR-1G1470, CID221095, 4-Chloro-1H-pyrazolo[3,4-d]pyrimidine, 96% - 1G 1g, 61262-81-5,

Complexity	131
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	154.005g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	154.557g/mol
Monoisotopic Mass	154.005g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	54.5A^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+H312+H332-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number