2-(3-chloro-5-ethoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-(3-chloro-5-ethoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

CAS: 1218789-40-2

Formula: C14H20BClO3

SMILES: CCOC1=CC(=CC(Cl)=C1)B1OC(C)(C)C(C)(C)O1

IUPAC: 2-(3-chloro-5-ethoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

InChI: InChI=1S/C14H20BClO3/c1-6-17-12-8-10(7-11(16)9-12)15-18-13(2,3)14(4,5)19-15/h7-9H,6H2,1-5H3

Composition: C (59.51%), H (7.13%), B (3.83%), Cl (12.55%), O (16.99%)

Molar Mass: 282.57

Atom Count: 39

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	282.119402
Formal Charge	0
FSP3	0.57
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	XVBSKDKUPIBZJR-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	71.73
Topological Polar Surface Area	27.69
Polarizability	30.23
Ring Count	2
Rotatable Bond Count	3

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