3-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxybenzaldehyde

3-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxybenzaldehyde

CAS: 345980-30-5

Formula: C16H13BrCl2O3

SMILES: CCOC1=CC(C=O)=CC(Br)=C1OCC1=CC=C(Cl)C=C1Cl

IUPAC: 3-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxybenzaldehyde

InChI: InChI=1S/C16H13BrCl2O3/c1-2-21-15-6-10(8-20)5-13(17)16(15)22-9-11-3-4-12(18)7-14(11)19/h3-8H,2,9H2,1H3

Composition: C (47.56%), H (3.24%), Br (19.77%), Cl (17.55%), O (11.88%)

Molar Mass: 404.08

Atom Count: 35

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	401.942513
Formal Charge	0
FSP3	0.19
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	JRYOPWKPBWOAKL-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	92.16
Topological Polar Surface Area	35.53
Polarizability	35.34
Ring Count	2
Rotatable Bond Count	6

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