3,5-di-tert-butylphenylboronic acid

3,5-di-tert-butylphenylboronic acid

CAS: 197223-39-5

Formula: C14H23BO2

SMILES: CC(C)(C)C1=CC(=CC(=C1)B(O)O)C(C)(C)C

IUPAC: (3,5-di-tert-butylphenyl)boronic acid

InChI: InChI=1S/C14H23BO2/c1-13(2,3)10-7-11(14(4,5)6)9-12(8-10)15(16)17/h7-9,16-17H,1-6H3

Composition: C (71.82%), H (9.90%), B (4.62%), O (13.67%)

Molar Mass: 234.15

Atom Count: 40

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	234.17911
Formal Charge	0
FSP3	0.57
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	RPCBIEHUQSGPNA-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	67.94
Topological Polar Surface Area	40.46
Polarizability	28.13
Ring Count	1
Rotatable Bond Count	3

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