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Home > Aldehydes > 1227496-31-2
1227496-31-2 | 1H-Indole-3-carboxaldehyde, 5-bromo-6-fluoro-
CAS No: 1227496-31-2 Catalog No: AG000JA2 MDL No:MFCD16609947
Product Description
Catalog Number:
AG000JA2
Chemical Name:
1H-Indole-3-carboxaldehyde, 5-bromo-6-fluoro-
CAS Number:
1227496-31-2
Molecular Formula:
C9H5BrFNO
Molecular Weight:
242.0445
MDL Number:
MFCD16609947
IUPAC Name:
5-bromo-6-fluoro-1H-indole-3-carbaldehyde
InChI:
InChI=1S/C9H5BrFNO/c10-7-1-6-5(4-13)3-12-9(6)2-8(7)11/h1-4,12H
InChI Key:
HWPRCHLVMBMXDO-UHFFFAOYSA-N
SMILES:
O=Cc1c[nH]c2c1cc(Br)c(c2)F
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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