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

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

CAS: 334018-52-9

Formula: C14H18BClO4

SMILES: COC(=O)C1=CC=C(C=C1Cl)B1OC(C)(C)C(C)(C)O1

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

InChI: InChI=1S/C14H18BClO4/c1-13(2)14(3,4)20-15(19-13)9-6-7-10(11(16)8-9)12(17)18-5/h6-8H,1-5H3

Composition: C (56.70%), H (6.12%), B (3.65%), Cl (11.95%), O (21.58%)

Molar Mass: 296.55

Atom Count: 38

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	296.098667
Formal Charge	0
FSP3	0.5
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	SPVAFOQLYCMOAO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	72.54
Topological Polar Surface Area	44.76
Polarizability	30.33
Ring Count	2
Rotatable Bond Count	3

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