3-(4-bromo-2-chlorophenoxymethyl)-4-methoxybenzaldehyde

3-(4-bromo-2-chlorophenoxymethyl)-4-methoxybenzaldehyde

CAS: 400878-06-0

Formula: C15H12BrClO3

SMILES: COC1=C(COC2=C(Cl)C=C(Br)C=C2)C=C(C=O)C=C1

IUPAC: 3-[(4-bromo-2-chlorophenoxy)methyl]-4-methoxybenzaldehyde

InChI: InChI=1S/C15H12BrClO3/c1-19-14-4-2-10(8-18)6-11(14)9-20-15-5-3-12(16)7-13(15)17/h2-8H,9H2,1H3

Composition: C (50.66%), H (3.40%), Br (22.47%), Cl (9.97%), O (13.50%)

Molar Mass: 355.61

Atom Count: 32

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	353.965835
Formal Charge	0
FSP3	0.13
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	WZVQUQHUVYXWTG-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	82.61
Topological Polar Surface Area	35.53
Polarizability	31.57
Ring Count	2
Rotatable Bond Count	5

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