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Home > Aldehydes > 648449-72-3
648449-72-3 | 5-Benzofurancarboxaldehyde, 3-bromo-2-fluoro-
CAS No: 648449-72-3 Catalog No: AG006SIP MDL No:
Product Description
Catalog Number:
AG006SIP
Chemical Name:
5-Benzofurancarboxaldehyde, 3-bromo-2-fluoro-
CAS Number:
648449-72-3
Molecular Formula:
C9H4BrFO2
Molecular Weight:
243.0293
IUPAC Name:
3-bromo-2-fluoro-1-benzofuran-5-carbaldehyde
InChI:
InChI=1S/C9H4BrFO2/c10-8-6-3-5(4-12)1-2-7(6)13-9(8)11/h1-4H
InChI Key:
SIUZKPVKUNBZHQ-UHFFFAOYSA-N
SMILES:
O=Cc1ccc2c(c1)c(Br)c(o2)F
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.938g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.031g/mol
Monoisotopic Mass:
241.938g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
30.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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