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23145-16-6 | 2-Benzofurancarboxaldehyde, 5-bromo-
CAS No: 23145-16-6 Catalog No: AG002MCU MDL No:MFCD06659072
Product Description
Catalog Number:
AG002MCU
Chemical Name:
2-Benzofurancarboxaldehyde, 5-bromo-
CAS Number:
23145-16-6
Molecular Formula:
C9H5BrO2
Molecular Weight:
225.0388
MDL Number:
MFCD06659072
IUPAC Name:
5-bromo-1-benzofuran-2-carbaldehyde
InChI:
InChI=1S/C9H5BrO2/c10-7-1-2-9-6(3-7)4-8(5-11)12-9/h1-5H
InChI Key:
UPEGFMDITWHVHV-UHFFFAOYSA-N
SMILES:
O=Cc1cc2c(o1)ccc(c2)Br
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:
2.8
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