2-fluoro-5-nitrophenylboronic acid

2-fluoro-5-nitrophenylboronic acid

CAS: 819849-20-2

Formula: C6H5BFNO4

SMILES: OB(O)C1=C(F)C=CC(=C1)[N+]([O-])=O

IUPAC: (2-fluoro-5-nitrophenyl)boronic acid

InChI: InChI=1S/C6H5BFNO4/c8-6-2-1-4(9(12)13)3-5(6)7(10)11/h1-3,10-11H

Composition: C (38.97%), H (2.73%), B (5.85%), F (10.27%), N (7.57%), O (34.61%)

Molar Mass: 184.92

Atom Count: 18

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	185.029566
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	SYAFEPQKPQIRAL-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	37.14
Topological Polar Surface Area	83.6
Polarizability	15.28
Ring Count	1
Rotatable Bond Count	2

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