3-bromo-5-ethoxybenzaldehyde

3-bromo-5-ethoxybenzaldehyde

CAS: 1451391-72-2

Formula: C9H9BrO2

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

IUPAC: 3-bromo-5-ethoxybenzaldehyde

InChI: InChI=1S/C9H9BrO2/c1-2-12-9-4-7(6-11)3-8(10)5-9/h3-6H,2H2,1H3

Composition: C (47.19%), H (3.96%), Br (34.88%), O (13.97%)

Molar Mass: 229.073

Atom Count: 21

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	227.978593
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	NBXZKUIPSKDAEV-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	51.48
Topological Polar Surface Area	26.3
Polarizability	19.42
Ring Count	1
Rotatable Bond Count	3

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