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Home > Aldehydes > 1094546-99-2
1094546-99-2 | 4-Bromo-2-ethoxybenzaldehyde
CAS No: 1094546-99-2 Catalog No: AG007T1V MDL No:MFCD11651777
Product Description
Catalog Number:
AG007T1V
Chemical Name:
4-Bromo-2-ethoxybenzaldehyde
CAS Number:
1094546-99-2
Molecular Formula:
C9H9BrO2
Molecular Weight:
229.0706
MDL Number:
MFCD11651777
IUPAC Name:
4-bromo-2-ethoxybenzaldehyde
InChI:
InChI=1S/C9H9BrO2/c1-2-12-9-5-8(10)4-3-7(9)6-11/h3-6H,2H2,1H3
InChI Key:
RCLVJRISTAVSBL-UHFFFAOYSA-N
SMILES:
CCOc1cc(Br)ccc1C=O
Properties
Complexity:
150
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.979g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
229.073g/mol
Monoisotopic Mass:
227.979g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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