2-bromo-4-fluoro-5-hydroxybenzoic acid

2-bromo-4-fluoro-5-hydroxybenzoic acid

CAS: 91659-19-7

Formula: C7H4BrFO3

SMILES: OC(=O)C1=C(Br)C=C(F)C(O)=C1

IUPAC: 2-bromo-4-fluoro-5-hydroxybenzoic acid

InChI: InChI=1S/C7H4BrFO3/c8-4-2-5(9)6(10)1-3(4)7(11)12/h1-2,10H,(H,11,12)

Composition: C (35.78%), H (1.72%), Br (34.00%), F (8.08%), O (20.42%)

Molar Mass: 235.008

Atom Count: 16

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	233.932785
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	NRRQMEMDKNSMOV-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	43.13
Topological Polar Surface Area	57.53
Polarizability	16.23
Ring Count	1
Rotatable Bond Count	1

Suppliers

Key Organics Ltd

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Purity	LeadTime	CAS	PacketSize	UnitPrice
90%	<2 Days	91659-19-7		$51.35-$539.70$51.35$63.37$86.31$113.62$180.26$539.70