5-bromo-2-[(2-fluorophenyl)methoxy]benzoic acid

5-bromo-2-[(2-fluorophenyl)methoxy]benzoic acid

CAS: 938231-13-1

Formula: C14H10BrFO3

SMILES: OC(=O)C1=C(OCC2=C(F)C=CC=C2)C=CC(Br)=C1

IUPAC: 5-bromo-2-[(2-fluorophenyl)methoxy]benzoic acid

InChI: InChI=1S/C14H10BrFO3/c15-10-5-6-13(11(7-10)14(17)18)19-8-9-3-1-2-4-12(9)16/h1-7H,8H2,(H,17,18)

Composition: C (51.72%), H (3.10%), Br (24.58%), F (5.84%), O (14.76%)

Molar Mass: 325.133

Atom Count: 29

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	323.979735
Formal Charge	0
FSP3	0.07
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	RCTCBRGRXDLGJJ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	72.23
Topological Polar Surface Area	46.53
Polarizability	27.36
Ring Count	2
Rotatable Bond Count	4

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