3-fluoro-4-(morpholin-4-yl)phenylboronic acid

3-fluoro-4-(morpholin-4-yl)phenylboronic acid

CAS: 279262-09-8

Formula: C10H13BFNO3

SMILES: OB(O)C1=CC=C(N2CCOCC2)C(F)=C1

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

InChI: InChI=1S/C10H13BFNO3/c12-9-7-8(11(14)15)1-2-10(9)13-3-5-16-6-4-13/h1-2,7,14-15H,3-6H2

Composition: C (53.38%), H (5.82%), B (4.80%), F (8.44%), N (6.22%), O (21.33%)

Molar Mass: 225.03

Atom Count: 29

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	225.097251
Formal Charge	0
FSP3	0.4
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	JCGKJBDGVMLWBG-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	54.32
Topological Polar Surface Area	52.93
Polarizability	21.73
Ring Count	2
Rotatable Bond Count	2

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