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

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

CAS: 588708-72-9

Formula: C11H12FNO3

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

IUPAC: 3-fluoro-4-(morpholin-4-yl)benzoic acid

InChI: InChI=1S/C11H12FNO3/c12-9-7-8(11(14)15)1-2-10(9)13-3-5-16-6-4-13/h1-2,7H,3-6H2,(H,14,15)

Composition: C (58.66%), H (5.37%), F (8.44%), N (6.22%), O (21.31%)

Molar Mass: 225.219

Atom Count: 28

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	225.080121413
Formal Charge	0
FSP3	0.36
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	WDOYQIXUKGKGHT-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	57.03
Topological Polar Surface Area	49.77
Polarizability	20.9
Ring Count	2
Rotatable Bond Count	2

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