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4-[(3-bromophenyl)methoxy]-3-methoxybenzoic acid

4-[(3-bromophenyl)methoxy]-3-methoxybenzoic acid

CAS: 1016873-65-6

Formula: C15H13BrO4

SMILES: COC1=C(OCC2=CC(Br)=CC=C2)C=CC(=C1)C(O)=O

IUPAC: 4-[(3-bromophenyl)methoxy]-3-methoxybenzoic acid

InChI: InChI=1S/C15H13BrO4/c1-19-14-8-11(15(17)18)5-6-13(14)20-9-10-3-2-4-12(16)7-10/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 GCENFXPJMGKQFH-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 78.48
Topological Polar Surface Area 55.76
Polarizability 30.11
Ring Count 2
Rotatable Bond Count 5

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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 1016873-65-6 $134.76$134.76
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