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

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

CAS: 330462-61-8

Formula: C16H14BrNO2

SMILES: CCOC1=CC(=CC(Br)=C1OCC1=CC=CC=C1)C#N

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

InChI: InChI=1S/C16H14BrNO2/c1-2-19-15-9-13(10-18)8-14(17)16(15)20-11-12-6-4-3-5-7-12/h3-9H,2,11H2,1H3

Composition: C (57.85%), H (4.25%), Br (24.05%), N (4.22%), O (9.63%)

Molar Mass: 332.197

Atom Count: 34

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	331.020792
Formal Charge	0
FSP3	0.19
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	QFQHZKCMRVXNND-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	81.69
Topological Polar Surface Area	42.25
Polarizability	31.36
Ring Count	2
Rotatable Bond Count	5

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