2-chloro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7H-pyrrolo[2,3-d]pyrimidine

2-chloro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7H-pyrrolo[2,3-d]pyrimidine

CAS: 2408429-69-4

Formula: C12H15BClN3O2

SMILES: CC1(C)OB(OC1(C)C)C1=CC2=CN=C(Cl)N=C2N1

IUPAC: 2-chloro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7H-pyrrolo[2,3-d]pyrimidine

InChI: InChI=1S/C12H15BClN3O2/c1-11(2)12(3,4)19-13(18-11)8-5-7-6-15-10(14)17-9(7)16-8/h5-6H,1-4H3,(H,15,16,17)

Composition: C (51.56%), H (5.41%), B (3.87%), Cl (12.68%), N (15.03%), O (11.45%)

Molar Mass: 279.53

Atom Count: 34

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	279.094584
Formal Charge	0
FSP3	0.5
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	PKEHWNRIMIRNEM-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	68.17
Topological Polar Surface Area	60.03
Polarizability	28.78
Ring Count	3
Rotatable Bond Count	1

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Purity	LeadTime	CAS	PacketSize	UnitPrice
96%	<2 Days	2408429-69-4		$631.35-$7,912.00$631.35$1,147.70$2,162.00$7,912.00