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Home > Aldehydes > 1009091-82-0
1009091-82-0 | Benzaldehyde, 3-bromo-2-ethoxy-
CAS No: 1009091-82-0 Catalog No: AG00035W MDL No:
Product Description
Catalog Number:
AG00035W
Chemical Name:
Benzaldehyde, 3-bromo-2-ethoxy-
CAS Number:
1009091-82-0
Molecular Formula:
C9H9BrO2
Molecular Weight:
229.0706
IUPAC Name:
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
InChI Key:
HYMCRTCUKJLPLB-UHFFFAOYSA-N
SMILES:
CCOc1c(Br)cccc1C=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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