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Home > Aldehydes > 147067-67-2
147067-67-2 | Benzaldehyde, 5-(benzoyloxy)-3-bromo-2-methoxy-
CAS No: 147067-67-2 Catalog No: AG001EKT MDL No:
Product Description
Catalog Number:
AG001EKT
Chemical Name:
Benzaldehyde, 5-(benzoyloxy)-3-bromo-2-methoxy-
CAS Number:
147067-67-2
Molecular Formula:
C15H11BrO4
Molecular Weight:
335.1494
IUPAC Name:
(3-bromo-5-formyl-4-methoxyphenyl) benzoate
InChI:
InChI=1S/C15H11BrO4/c1-19-14-11(9-17)7-12(8-13(14)16)20-15(18)10-5-3-2-4-6-10/h2-9H,1H3
InChI Key:
ZBQNLZNSAMJMBU-UHFFFAOYSA-N
SMILES:
COc1c(Br)cc(cc1C=O)OC(=O)c1ccccc1
Properties
Complexity:
341
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
333.984g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
335.153g/mol
Monoisotopic Mass:
333.984g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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