methyl 3-ethoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate

methyl 3-ethoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate

CAS: 1218789-54-8

Formula: C16H23BO5

SMILES: CCOC1=CC(=CC(=C1)C(=O)OC)B1OC(C)(C)C(C)(C)O1

IUPAC: methyl 3-ethoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate

InChI: InChI=1S/C16H23BO5/c1-7-20-13-9-11(14(18)19-6)8-12(10-13)17-21-15(2,3)16(4,5)22-17/h8-10H,7H2,1-6H3

Composition: C (62.77%), H (7.57%), B (3.53%), O (26.13%)

Molar Mass: 306.17

Atom Count: 45

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	306.163854
Formal Charge	0
FSP3	0.56
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	YCYXPSGJPZOSTO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	78.95
Topological Polar Surface Area	53.99
Polarizability	32.78
Ring Count	2
Rotatable Bond Count	5

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