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81805-97-2 | 3-BROMO-5-ETHOXY-4-METHOXYBENZALDEHYDE
CAS No: 81805-97-2 Catalog No: AG0056T7 MDL No:MFCD02256580
Product Description
Catalog Number:
AG0056T7
Chemical Name:
3-BROMO-5-ETHOXY-4-METHOXYBENZALDEHYDE
CAS Number:
81805-97-2
Molecular Formula:
C10H11BrO3
Molecular Weight:
259.0965
MDL Number:
MFCD02256580
IUPAC Name:
3-bromo-5-ethoxy-4-methoxybenzaldehyde
InChI:
InChI=1S/C10H11BrO3/c1-3-14-9-5-7(6-12)4-8(11)10(9)13-2/h4-6H,3H2,1-2H3
InChI Key:
REGQXFPWCZJUGY-UHFFFAOYSA-N
SMILES:
CCOc1cc(C=O)cc(c1OC)Br
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.989g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
259.099g/mol
Monoisotopic Mass:
257.989g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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