methyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine-2-carboxylate

methyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine-2-carboxylate

CAS: 1610705-51-5

Formula: C12H17BN2O4

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

IUPAC: methyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine-2-carboxylate

InChI: InChI=1S/C12H17BN2O4/c1-11(2)12(3,4)19-13(18-11)8-6-14-9(15-7-8)10(16)17-5/h6-7H,1-5H3

Composition: C (54.58%), H (6.49%), B (4.09%), N (10.61%), O (24.23%)

Molar Mass: 264.09

Atom Count: 36

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	264.128137
Formal Charge	0
FSP3	0.58
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
InChIKey	OMKFGJOPZQLNCN-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	64.06
Topological Polar Surface Area	70.54
Polarizability	26.69
Ring Count	2
Rotatable Bond Count	3

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