4-bromo-5-fluoro-2-methoxybenzoic acid

4-bromo-5-fluoro-2-methoxybenzoic acid

CAS: 1780187-45-2

Formula: C8H6BrFO3

SMILES: COC1=CC(Br)=C(F)C=C1C(O)=O

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

InChI: InChI=1S/C8H6BrFO3/c1-13-7-3-5(9)6(10)2-4(7)8(11)12/h2-3H,1H3,(H,11,12)

Composition: C (38.58%), H (2.43%), Br (32.09%), F (7.63%), O (19.27%)

Molar Mass: 249.035

Atom Count: 19

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	247.948435
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	BCNABXVPXFZMFO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	47.62
Topological Polar Surface Area	46.53
Polarizability	18.06
Ring Count	1
Rotatable Bond Count	2

Suppliers

Molecule Market Select

Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<5 Days	1780187-45-2		$56.75-$184.11$56.75$92.05$184.11