5-bromo-2-fluoro-4-methylphenylboronic acid

5-bromo-2-fluoro-4-methylphenylboronic acid

CAS: 957061-14-2

Formula: C7H7BBrFO2

SMILES: CC1=CC(F)=C(C=C1Br)B(O)O

IUPAC: (5-bromo-2-fluoro-4-methylphenyl)boronic acid

InChI: InChI=1S/C7H7BBrFO2/c1-4-2-7(10)5(8(11)12)3-6(4)9/h2-3,11-12H,1H3

Composition: C (36.11%), H (3.03%), B (4.64%), Br (34.32%), F (8.16%), O (13.74%)

Molar Mass: 232.84

Atom Count: 19

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	231.970651
Formal Charge	0
FSP3	0.14
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	HTOASIJHHJJWRV-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	43.48
Topological Polar Surface Area	40.46
Polarizability	17.97
Ring Count	1
Rotatable Bond Count	1

Suppliers

Molecule Market Select

Purity	LeadTime	CAS	PacketSize	UnitPrice
98%	<7 Days	957061-14-2		$8.28-$217.35$8.28$10.35$30.02$120.06$217.35

Kinentia Biosciences LLC

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<14 Days	957061-14-2		$97.34-$365.72$97.34$365.72

Molecule Market Select

Purity	LeadTime	CAS	PacketSize	UnitPrice
98%	<5 Days	957061-14-2		$21.44-$239.59$21.44$63.05$239.59