3-(benzyloxy)-5-bromobenzoic acid

3-(benzyloxy)-5-bromobenzoic acid

CAS: 1242336-70-4

Formula: C14H11BrO3

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

IUPAC: 3-(benzyloxy)-5-bromobenzoic acid

InChI: InChI=1S/C14H11BrO3/c15-12-6-11(14(16)17)7-13(8-12)18-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,16,17)

Composition: C (54.75%), H (3.61%), Br (26.02%), O (15.63%)

Molar Mass: 307.143

Atom Count: 29

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	305.989157
Formal Charge	0
FSP3	0.07
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	GFROXMGZVLABNJ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	72.01
Topological Polar Surface Area	46.53
Polarizability	27.56
Ring Count	2
Rotatable Bond Count	4

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