4-fluoro-3-(methylcarbamoyl)phenylboronic acid

4-fluoro-3-(methylcarbamoyl)phenylboronic acid

CAS: 874219-19-9

Formula: C8H9BFNO3

SMILES: CNC(=O)C1=C(F)C=CC(=C1)B(O)O

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

InChI: InChI=1S/C8H9BFNO3/c1-11-8(12)6-4-5(9(13)14)2-3-7(6)10/h2-4,13-14H,1H3,(H,11,12)

Composition: C (48.78%), H (4.61%), B (5.49%), F (9.65%), N (7.11%), O (24.37%)

Molar Mass: 196.97

Atom Count: 23

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	197.065951
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	3
InChIKey	DVDSMLPVTUSIFM-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	44.79
Topological Polar Surface Area	69.56
Polarizability	17.98
Ring Count	1
Rotatable Bond Count	2

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