2-[3-bromo-5-(cyclopropylmethoxy)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-[3-bromo-5-(cyclopropylmethoxy)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

CAS: 1218789-49-1

Formula: C16H22BBrO3

SMILES: CC1(C)OB(OC1(C)C)C1=CC(Br)=CC(OCC2CC2)=C1

IUPAC: 2-[3-bromo-5-(cyclopropylmethoxy)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

InChI: InChI=1S/C16H22BBrO3/c1-15(2)16(3,4)21-17(20-15)12-7-13(18)9-14(8-12)19-10-11-5-6-11/h7-9,11H,5-6,10H2,1-4H3

Composition: C (54.43%), H (6.28%), B (3.06%), Br (22.63%), O (13.59%)

Molar Mass: 353.06

Atom Count: 43

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	352.084538
Formal Charge	0
FSP3	0.62
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	UJZRFGSKTCMGPZ-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	81.74
Topological Polar Surface Area	27.69
Polarizability	34.05
Ring Count	3
Rotatable Bond Count	4

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