4-(benzyloxy)-3-bromo-5-ethoxybenzaldehyde

4-(benzyloxy)-3-bromo-5-ethoxybenzaldehyde

CAS: 428476-06-6

Formula: C16H15BrO3

SMILES: CCOC1=CC(C=O)=CC(Br)=C1OCC1=CC=CC=C1

IUPAC: 4-(benzyloxy)-3-bromo-5-ethoxybenzaldehyde

InChI: InChI=1S/C16H15BrO3/c1-2-19-15-9-13(10-18)8-14(17)16(15)20-11-12-6-4-3-5-7-12/h3-10H,2,11H2,1H3

Composition: C (57.33%), H (4.51%), Br (23.84%), O (14.32%)

Molar Mass: 335.197

Atom Count: 35

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	334.020457
Formal Charge	0
FSP3	0.19
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	RWFBRUQCEROCJA-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	82.55
Topological Polar Surface Area	35.53
Polarizability	31.44
Ring Count	2
Rotatable Bond Count	6

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