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5-bromo-2-[(3-chlorophenyl)methoxy]benzaldehyde

5-bromo-2-[(3-chlorophenyl)methoxy]benzaldehyde

CAS: 588678-17-5

Formula: C14H10BrClO2

SMILES: ClC1=CC=CC(COC2=C(C=O)C=C(Br)C=C2)=C1

IUPAC: 5-bromo-2-[(3-chlorophenyl)methoxy]benzaldehyde

InChI: InChI=1S/C14H10BrClO2/c15-12-4-5-14(11(7-12)8-17)18-9-10-2-1-3-13(16)6-10/h1-8H,9H2

Composition: C (51.65%), H (3.10%), Br (24.54%), Cl (10.89%), O (9.83%)

Molar Mass: 325.59

Atom Count: 28

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 323.95527
Formal Charge 0
FSP3 0.07
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey ROBRZEPVGIQZMR-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 76.15
Topological Polar Surface Area 26.3
Polarizability 29
Ring Count 2
Rotatable Bond Count 4

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