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2-(benzyloxy)-5-bromobenzoic acid

2-(benzyloxy)-5-bromobenzoic acid

CAS: 62176-31-2

Formula: C14H11BrO3

SMILES: OC(=O)C1=CC(Br)=CC=C1OCC1=CC=CC=C1

IUPAC: 2-(benzyloxy)-5-bromobenzoic acid

InChI: InChI=1S/C14H11BrO3/c15-11-6-7-13(12(8-11)14(16)17)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 VIQAXGLEBKDMGC-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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