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4-[1-(tert-butoxycarbonyl)pyrrolidin-2-yl]phenylboronic acid

4-[1-(tert-butoxycarbonyl)pyrrolidin-2-yl]phenylboronic acid

CAS: 1027103-15-6

Formula: C15H22BNO4

SMILES: CC(C)(C)OC(=O)N1CCCC1C1=CC=C(C=C1)B(O)O

IUPAC: (4-{1-[(tert-butoxy)carbonyl]pyrrolidin-2-yl}phenyl)boronic acid

InChI: InChI=1/C15H22BNO4/c1-15(2,3)21-14(18)17-10-4-5-13(17)11-6-8-12(9-7-11)16(19)20/h6-9,13,19-20H,4-5,10H2,1-3H3

Composition: C (61.88%), H (7.62%), B (3.71%), N (4.81%), O (21.98%)

Molar Mass: 291.15

Atom Count: 43

Heavy Atom Count: 21

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 291.164188
Formal Charge 0
FSP3 0.53
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey YYBYFRAZYQMGTM-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 76.06
Topological Polar Surface Area 70
Polarizability 31.28
Ring Count 2
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
97% <2 Days 1027103-15-6 $483.00-$5,612.00$483.00$851.00$1,587.00$5,612.00
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