4-(pyrrolidin-1-yl)phenylboronic acid

4-(pyrrolidin-1-yl)phenylboronic acid

CAS: 229009-41-0

Formula: C10H14BNO2

SMILES: OB(O)C1=CC=C(C=C1)N1CCCC1

IUPAC: [4-(pyrrolidin-1-yl)phenyl]boronic acid

InChI: InChI=1S/C10H14BNO2/c13-11(14)9-3-5-10(6-4-9)12-7-1-2-8-12/h3-6,13-14H,1-2,7-8H2

Composition: C (62.87%), H (7.39%), B (5.66%), N (7.33%), O (16.75%)

Molar Mass: 191.04

Atom Count: 28

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	191.111759
Formal Charge	0
FSP3	0.4
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	HNEBXPPPIFWGHH-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	52.57
Topological Polar Surface Area	43.7
Polarizability	21.31
Ring Count	2
Rotatable Bond Count	2

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