4-(benzyloxy)-2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine

4-(benzyloxy)-2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine

CAS: 1073354-22-9

Formula: C17H20BClN2O3

SMILES: CC1(C)OB(OC1(C)C)C1=CN=C(Cl)N=C1OCC1=CC=CC=C1

IUPAC: 4-(benzyloxy)-2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine

InChI: InChI=1S/C17H20BClN2O3/c1-16(2)17(3,4)24-18(23-16)13-10-20-15(19)21-14(13)22-11-12-8-6-5-7-9-12/h5-10H,11H2,1-4H3

Composition: C (58.91%), H (5.82%), B (3.12%), Cl (10.23%), N (8.08%), O (13.85%)

Molar Mass: 346.62

Atom Count: 44

Heavy Atom Count: 24

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	346.12555
Formal Charge	0
FSP3	0.41
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
InChIKey	YXXPVSCUVOPQBT-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	89.27
Topological Polar Surface Area	53.47
Polarizability	36.34
Ring Count	3
Rotatable Bond Count	4

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