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3-bromo-4-[(3-fluorophenyl)methoxy]-5-methoxybenzaldehyde

3-bromo-4-[(3-fluorophenyl)methoxy]-5-methoxybenzaldehyde

CAS: 346459-51-6

Formula: C15H12BrFO3

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

IUPAC: 3-bromo-4-[(3-fluorophenyl)methoxy]-5-methoxybenzaldehyde

InChI: InChI=1S/C15H12BrFO3/c1-19-14-7-11(8-18)6-13(16)15(14)20-9-10-3-2-4-12(17)5-10/h2-8H,9H2,1H3

Composition: C (53.12%), H (3.57%), Br (23.56%), F (5.60%), O (14.15%)

Molar Mass: 339.16

Atom Count: 32

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 337.995385
Formal Charge 0
FSP3 0.13
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey CVAFHPYMNFZJAR-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 78.02
Topological Polar Surface Area 35.53
Polarizability 29.4
Ring Count 2
Rotatable Bond Count 5

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