AG003A2K

55286-05-0 | 2-Chloro-7-methyl-7H-purine

AG003A2K

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CAS Number	55286-05-0
Catalog Number	AG003A2K
Chemical Name	2-Chloro-7-methyl-7H-purine
IUPAC Name	2-chloro-7-methylpurine
InChI	InChI=1S/C6H5ClN4/c1-11-3-9-5-4(11)2-8-6(7)10-5/h2-3H,1H3
InChI Key	DFYLWHVIJWMKOS-UHFFFAOYSA-N
MDL Number	MFCD21336457
Molecular Formula	C6H5ClN4
Molecular Weight	168.5837
SMILES	ClC1=NC=C2N(C=NC2=N1)C
Synonyms	2-chloro-7-methyl-7H-Purine, 55286-05-0, 7H-Purine, 2-chloro-7-methyl-, 7-Methyl-2-chlorpurin, AKOS030632018,

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

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

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