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Home > Aldehydes > 170681-94-4
170681-94-4 | 7-Benzofurancarboxaldehyde, 5-bromo-
CAS No: 170681-94-4 Catalog No: AG007UBM MDL No:
Product Description
Catalog Number:
AG007UBM
Chemical Name:
7-Benzofurancarboxaldehyde, 5-bromo-
CAS Number:
170681-94-4
Molecular Formula:
C9H5BrO2
Molecular Weight:
225.0388
IUPAC Name:
5-bromo-1-benzofuran-7-carbaldehyde
InChI:
InChI=1S/C9H5BrO2/c10-8-3-6-1-2-12-9(6)7(4-8)5-11/h1-5H
InChI Key:
JDFPHOYYVVDYAH-UHFFFAOYSA-N
SMILES:
O=Cc1cc(Br)cc2c1occ2
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.947g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
225.041g/mol
Monoisotopic Mass:
223.947g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
30.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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