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Home > Aldehydes > 797784-43-1
797784-43-1 | Benzaldehyde,3-bromo-5-ethyl-4-hydroxy-
CAS No: 797784-43-1 Catalog No: AG00569X MDL No:
Product Description
Catalog Number:
AG00569X
Chemical Name:
Benzaldehyde,3-bromo-5-ethyl-4-hydroxy-
CAS Number:
797784-43-1
Molecular Formula:
C9H9BrO2
Molecular Weight:
229.0706
IUPAC Name:
3-bromo-5-ethyl-4-hydroxybenzaldehyde
InChI:
InChI=1S/C9H9BrO2/c1-2-7-3-6(5-11)4-8(10)9(7)12/h3-5,12H,2H2,1H3
InChI Key:
NUJVYNCHMMVKBG-UHFFFAOYSA-N
SMILES:
CCc1cc(C=O)cc(c1O)Br
Properties
Complexity:
161
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:
1
Isotope Atom Count:
0
Molecular Weight:
229.073g/mol
Monoisotopic Mass:
227.979g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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