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Home > Aldehydes > 1227269-11-5
1227269-11-5 | 1H-Indole-3-carboxaldehyde, 7-bromo-5-fluoro-
CAS No: 1227269-11-5 Catalog No: AG000J5D MDL No:
Product Description
Catalog Number:
AG000J5D
Chemical Name:
1H-Indole-3-carboxaldehyde, 7-bromo-5-fluoro-
CAS Number:
1227269-11-5
Molecular Formula:
C9H5BrFNO
Molecular Weight:
242.0445
IUPAC Name:
7-bromo-5-fluoro-1H-indole-3-carbaldehyde
InChI:
InChI=1S/C9H5BrFNO/c10-8-2-6(11)1-7-5(4-13)3-12-9(7)8/h1-4,12H
InChI Key:
ZSQGHQWPOHETSW-UHFFFAOYSA-N
SMILES:
O=Cc1c[nH]c2c1cc(F)cc2Br
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.954g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
242.047g/mol
Monoisotopic Mass:
240.954g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
32.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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