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2-[(tert-butoxycarbonyl)amino]phenylboronic acid

2-[(tert-butoxycarbonyl)amino]phenylboronic acid

CAS: 115377-94-1

Formula: C11H16BNO4

SMILES: CC(C)(C)OC(=O)NC1=CC=CC=C1B(O)O

IUPAC: (2-{[(tert-butoxy)carbonyl]amino}phenyl)boronic acid

InChI: InChI=1S/C11H16BNO4/c1-11(2,3)17-10(14)13-9-7-5-4-6-8(9)12(15)16/h4-7,15-16H,1-3H3,(H,13,14)

Composition: C (55.73%), H (6.80%), B (4.56%), N (5.91%), O (27.00%)

Molar Mass: 237.06

Atom Count: 33

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 237.117238
Formal Charge 0
FSP3 0.36
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 3
InChIKey RMEIKYSECODAHJ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 60.9
Topological Polar Surface Area 78.79
Polarizability 24.65
Ring Count 1
Rotatable Bond Count 4

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