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3-bromo-2-ethoxybenzaldehyde

3-bromo-2-ethoxybenzaldehyde

CAS: 1009091-82-0

Formula: C9H9BrO2

SMILES: CCOC1=C(Br)C=CC=C1C=O

IUPAC: 3-bromo-2-ethoxybenzaldehyde

InChI: InChI=1S/C9H9BrO2/c1-2-12-9-7(6-11)4-3-5-8(9)10/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 HYMCRTCUKJLPLB-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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