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

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

Formula: C12H18BNO3

SMILES: OB(O)C1=CC=C(OCCN2CCCC2)C=C1

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

InChI: InChI=1S/C12H18BNO3/c15-13(16)11-3-5-12(6-4-11)17-10-9-14-7-1-2-8-14/h3-6,15-16H,1-2,7-10H2

Composition: C (61.31%), H (7.72%), B (4.60%), N (5.96%), O (20.42%)

Molar Mass: 235.09

Atom Count: 35

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 235.137973
Formal Charge 0
FSP3 0.5
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey CUQZAOZUFZWFPM-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 62.63
Topological Polar Surface Area 52.93
Polarizability 26.05
Ring Count 2
Rotatable Bond Count 5

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Purity LeadTime Formula PacketSize UnitPrice
97% <7 Days C12H18BNO3 $171.11-$1,589.50$171.11$273.02$514.25$1,589.50
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