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38281-52-6 | 2-Benzofurancarboxaldehyde, 3-bromo-
CAS No: 38281-52-6 Catalog No: AG007AQM MDL No:MFCD18074168
Product Description
Catalog Number:
AG007AQM
Chemical Name:
2-Benzofurancarboxaldehyde, 3-bromo-
CAS Number:
38281-52-6
Molecular Formula:
C9H5BrO2
Molecular Weight:
225.0388
MDL Number:
MFCD18074168
IUPAC Name:
3-bromo-1-benzofuran-2-carbaldehyde
InChI:
InChI=1S/C9H5BrO2/c10-9-6-3-1-2-4-7(6)12-8(9)5-11/h1-5H
InChI Key:
XJHLNJBEPAUFOD-UHFFFAOYSA-N
SMILES:
O=Cc1oc2c(c1Br)cccc2
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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