4-chloro-2-fluoro-3-hydroxyphenylboronic acid

4-chloro-2-fluoro-3-hydroxyphenylboronic acid

CAS: 1451393-44-4

Formula: C6H5BClFO3

SMILES: OB(O)C1=CC=C(Cl)C(O)=C1F

IUPAC: (4-chloro-2-fluoro-3-hydroxyphenyl)boronic acid

InChI: InChI=1S/C6H5BClFO3/c8-4-2-1-3(7(11)12)5(9)6(4)10/h1-2,10-12H

Composition: C (37.86%), H (2.65%), B (5.68%), Cl (18.62%), F (9.98%), O (25.21%)

Molar Mass: 190.36

Atom Count: 17

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	190.00043
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	3
InChIKey	CYFLEBLGQHFBBB-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	37.61
Topological Polar Surface Area	60.69
Polarizability	15.9
Ring Count	1
Rotatable Bond Count	1

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<5 Days	1451393-44-4		$136.19-$288.77$136.19$190.41$223.20$288.77