2-[2,4-dichloro-3-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-[2,4-dichloro-3-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

CAS: 1221589-79-2

Formula: C19H28B2Cl2O5

SMILES: COC1=C(Cl)C(=CC(B2OC(C)(C)C(C)(C)O2)=C1Cl)B1OC(C)(C)C(C)(C)O1

IUPAC: 2-[2,4-dichloro-3-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

InChI: InChI=1S/C19H28B2Cl2O5/c1-16(2)17(3,4)26-20(25-16)11-10-12(14(23)15(24-9)13(11)22)21-27-18(5,6)19(7,8)28-21/h10H,1-9H3

Composition: C (53.20%), H (6.58%), B (5.04%), Cl (16.53%), O (18.65%)

Molar Mass: 428.95

Atom Count: 56

Heavy Atom Count: 28

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	428.149989
Formal Charge	0
FSP3	0.68
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
InChIKey	TYZSIKCUEYRUDL-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	101.44
Topological Polar Surface Area	46.15
Polarizability	44.03
Ring Count	3
Rotatable Bond Count	3

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