AG00331B

5451-40-1 | 2,6-Dichloropurine

AG00331B

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CAS Number	5451-40-1
Catalog Number	AG00331B(AGN-PC-0OC2NX)
Chemical Name	2,6-Dichloropurine
EC Number	226-681-6
IUPAC Name	2,6-dichloro-7H-purine
InChI	InChI=1S/C5H2Cl2N4/c6-3-2-4(9-1-8-2)11-5(7)10-3/h1H,(H,8,9,10,11)
InChI Key	RMFWVOLULURGJI-UHFFFAOYSA-N
MDL Number	MFCD09749894
Molecular Formula	C5H2Cl2N4
Molecular Weight	189.0022
NSC Number	18395
SMILES	ClC1=NC(=C2NC=NC2=N1)Cl
Synonyms	2,6-dichloropurine, 2,6-Dichloropurine, 5451-40-1, 2,6-dichloro-9H-purine, 2,6-dichloro-7H-purine, 2,6-Dichloro-1H-purine, MFCD00077725, 2,6-DICHLORO PURINE, 9H-purine, 2,6-dichloro-, 2,6-Dichloropurine, 97%, RMFWVOLULURGJI-UHFFFAOYSA-N, 2,6 dichloropurine, EINECS 226-681-6, 2,6-Dichioropurine, NSC 18395, Purine,6-dichloro-, zlchem 226, 2,6-dichloro-purine, PubChem9188, 2, 6-Dichloropurine, AI3-51950, 1H-Purine,6-dichloro-, 2,6-dichlor-9H-purin, AC1Q3KWD, Purine, 2,6-dichloro-, ACMC-209lh6, AC1NT53H, SCHEMBL37383, KSC269I9H, 2,6-Dichloro-1H-purine #, 2,6-bis(chloranyl)-7H-purine, 2,6-dichloropurine, AldrichCPR, CHEMBL1256006, 2,6-dichloro-7(9)H-purine;, CTK1G9493, DTXSID60202922, ZLC0034, BM032, ACT02227, ALBB-029089, BCP22487, NSC18395, ANW-32104, BBL010927, CD-234, EBD541057, NSC-18395, SBB000271, STK801929, ZINC13516915, 1H-Purine, 2,6-dichloro- (9CI), AKOS005073386, AKOS005257636, AKOS026745404, AB00438, AC-2585, CS-W007367, GS-3174, KS-1014, LS20591, MCULE-7009583220, PB37489, RP03627, RTC-030506, SB10534, TRA0039821, KS-000003Q8, AK-26103, AN-13811, BC202049, BR-26103, NA090022, Purine, 2,6-dichloro- (VAN) (8CI), SC-05234, ST069276, SY002222, AB0008353, AB0093147, AB1001316, DB-005149, TC-030506, TL8003574, AM20100342, D2470, FT-0600029, 2,6-Dichloropurine, purum, >=97.0% (AT), C-4722, X-2375, MFCD00077725 (97+%), 451D401, A830220, I07-0004, Q-200209, I14-23814, F0001-1435, InChI=1/C5H2Cl2N4/c6-3-2-4(9-1-8-2)11-5(7)10-3/h1H,(H,8,9,10,11, dichloropurine, null, ?2,6-Dichloropurine, C5H2Cl2N4, 3-Phenylpropyl isovalerate, 1H-Purine, 2,6-dichloro-, C5-H2-Cl2-N4, 2,6-Dichloropurine, 97% 250mg, ACN-038112, CID5324412, 2,6-Dichloropurine, 98% - 1G 1g, A7917, N/A,

Complexity	155
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	187.966g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	188.999g/mol
Monoisotopic Mass	187.966g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	54.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H315-H319-H335
Packing Group	\N
Precautionary statements	P261-P305+P351+P338
UN Code	\N

Certificate of Analysis

Lot Number