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5-(benzyloxy)-2-bromo-4-methoxybenzoic acid

5-(benzyloxy)-2-bromo-4-methoxybenzoic acid

CAS: 24958-42-7

Formula: C15H13BrO4

SMILES: COC1=CC(Br)=C(C=C1OCC1=CC=CC=C1)C(O)=O

IUPAC: 5-(benzyloxy)-2-bromo-4-methoxybenzoic acid

InChI: InChI=1S/C15H13BrO4/c1-19-13-8-12(16)11(15(17)18)7-14(13)20-9-10-5-3-2-4-6-10/h2-8H,9H2,1H3,(H,17,18)

Composition: C (53.43%), H (3.89%), Br (23.70%), O (18.98%)

Molar Mass: 337.169

Atom Count: 33

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 335.999722
Formal Charge 0
FSP3 0.13
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey FBTDEMXQQIWHKX-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 78.48
Topological Polar Surface Area 55.76
Polarizability 30.12
Ring Count 2
Rotatable Bond Count 5

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