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2-bromo-4-ethoxybenzaldehyde

2-bromo-4-ethoxybenzaldehyde

Formula: C9H9BrO2

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

IUPAC: 2-bromo-4-ethoxybenzaldehyde

InChI: InChI=1S/C9H9BrO2/c1-2-12-8-4-3-7(6-11)9(10)5-8/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 MSPJFUIGOFAMMI-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 51.48
Topological Polar Surface Area 26.3
Polarizability 19.43
Ring Count 1
Rotatable Bond Count 3

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Purity LeadTime Formula UnitPrice
98% <10 Days C9H9BrO2 Quote Only