6-chloro-8-methyl-9H-purine

6-chloro-8-methyl-9H-purine

CAS: 92001-52-0

Formula: C6H5ClN4

SMILES: CC1=NC2=C(Cl)N=CN=C2N1

IUPAC: 6-chloro-8-methyl-9H-purine

InChI: InChI=1S/C6H5ClN4/c1-3-10-4-5(7)8-2-9-6(4)11-3/h2H,1H3,(H,8,9,10,11)

Composition: C (42.75%), H (2.99%), Cl (21.03%), N (33.23%)

Molar Mass: 168.58

Atom Count: 16

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	168.0202739
Formal Charge	0
FSP3	0.17
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	MZYQXIIORWCBHF-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	41.89
Topological Polar Surface Area	54.46
Polarizability	15.97
Ring Count	2
Rotatable Bond Count	0

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97.29%	<7 Days	92001-52-0		$138.38-$988.30$138.38$236.56$379.61$988.30

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95%	<5 Days	92001-52-0		$147.54-$882.70$147.54$882.70