3-fluoro-4-[3-(morpholin-4-yl)propoxy]phenylboronic acid

3-fluoro-4-[3-(morpholin-4-yl)propoxy]phenylboronic acid

CAS: 944279-32-7

Formula: C13H19BFNO4

SMILES: OB(O)C1=CC=C(OCCCN2CCOCC2)C(F)=C1

IUPAC: {3-fluoro-4-[3-(morpholin-4-yl)propoxy]phenyl}boronic acid

InChI: InChI=1S/C13H19BFNO4/c15-12-10-11(14(17)18)2-3-13(12)20-7-1-4-16-5-8-19-9-6-16/h2-3,10,17-18H,1,4-9H2

Composition: C (55.15%), H (6.76%), B (3.82%), F (6.71%), N (4.95%), O (22.60%)

Molar Mass: 283.11

Atom Count: 39

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	283.139116
Formal Charge	0
FSP3	0.54
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	KJBZMTQVEIRBFX-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	69.24
Topological Polar Surface Area	62.16
Polarizability	28.3
Ring Count	2
Rotatable Bond Count	6

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<5 Days	944279-32-7		$136.19-$470.35$136.19$211.85$470.35