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3-[(tert-butoxycarbonyl)(butyl)amino]phenylboronic acid

3-[(tert-butoxycarbonyl)(butyl)amino]phenylboronic acid

CAS: 925932-71-4

Formula: C15H24BNO4

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

IUPAC: (3-{[(tert-butoxy)carbonyl](butyl)amino}phenyl)boronic acid

InChI: InChI=1S/C15H24BNO4/c1-5-6-10-17(14(18)21-15(2,3)4)13-9-7-8-12(11-13)16(19)20/h7-9,11,19-20H,5-6,10H2,1-4H3

Composition: C (61.45%), H (8.25%), B (3.69%), N (4.78%), O (21.83%)

Molar Mass: 293.17

Atom Count: 45

Heavy Atom Count: 21

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 293.179838
Formal Charge 0
FSP3 0.53
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey PWGLYYWIKQFCSS-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 77.89
Topological Polar Surface Area 70
Polarizability 31.99
Ring Count 1
Rotatable Bond Count 7

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98% <5 Days 925932-71-4 $39.09-$499.36$39.09$65.57$166.45$499.36
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