N-(methoxymethyl)-N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]methanesulfonamide

N-(methoxymethyl)-N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]methanesulfonamide

CAS: 2096333-95-6

Formula: C13H22BN3O5S

SMILES: COCN(C1=NC=C(C=N1)B1OC(C)(C)C(C)(C)O1)S(C)(=O)=O

IUPAC: N-(methoxymethyl)-N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]methanesulfonamide

InChI: InChI=1S/C13H22BN3O5S/c1-12(2)13(3,4)22-14(21-12)10-7-15-11(16-8-10)17(9-20-5)23(6,18)19/h7-8H,9H2,1-6H3

Composition: C (45.50%), H (6.46%), B (3.15%), N (12.24%), O (23.31%), S (9.34%)

Molar Mass: 343.21

Atom Count: 45

Heavy Atom Count: 23

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	343.137322
Formal Charge	0
FSP3	0.69
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	0
InChIKey	HTMIEBLRKYILPI-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	79.76
Topological Polar Surface Area	90.85
Polarizability	33.84
Ring Count	2
Rotatable Bond Count	4

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Purity	LeadTime	CAS	PacketSize	UnitPrice
96%	<5 Days	2096333-95-6		$90.79-$809.56$90.79$225.72$809.56