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5-(tert-butoxycarbonyl)furan-2-ylboronic acid

5-(tert-butoxycarbonyl)furan-2-ylboronic acid

CAS: 2377608-03-0

Formula: C9H13BO5

SMILES: CC(C)(C)OC(=O)C1=CC=C(O1)B(O)O

IUPAC: {5-[(tert-butoxy)carbonyl]furan-2-yl}boronic acid

InChI: InChI=1S/C9H13BO5/c1-9(2,3)15-8(11)6-4-5-7(14-6)10(12)13/h4-5,12-13H,1-3H3

Composition: C (50.99%), H (6.18%), B (5.10%), O (37.73%)

Molar Mass: 212.01

Atom Count: 28

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 212.085604
Formal Charge 0
FSP3 0.44
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey BNJXSNWWSPMGLY-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 48.08
Topological Polar Surface Area 79.9
Polarizability 20.44
Ring Count 1
Rotatable Bond Count 4

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