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79636-94-5 | 5-Bromo-2-ethoxybenzaldehyde
CAS No: 79636-94-5 Catalog No: AG0057LV MDL No:MFCD00016600
Product Description
Catalog Number:
AG0057LV
Chemical Name:
5-Bromo-2-ethoxybenzaldehyde
CAS Number:
79636-94-5
Molecular Formula:
C9H9BrO2
Molecular Weight:
229.0706
MDL Number:
MFCD00016600
IUPAC Name:
5-bromo-2-ethoxybenzaldehyde
InChI:
InChI=1S/C9H9BrO2/c1-2-12-9-4-3-8(10)5-7(9)6-11/h3-6H,2H2,1H3
InChI Key:
NFCBVQSSJAXEJD-UHFFFAOYSA-N
SMILES:
CCOc1ccc(cc1C=O)Br
NSC Number:
157341
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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