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Home > Aldehydes > 1227502-83-1
1227502-83-1 | 1H-Indole-3-carboxaldehyde, 4-bromo-7-fluoro-
CAS No: 1227502-83-1 Catalog No: AG000J9V MDL No:
Product Description
Catalog Number:
AG000J9V
Chemical Name:
1H-Indole-3-carboxaldehyde, 4-bromo-7-fluoro-
CAS Number:
1227502-83-1
Molecular Formula:
C9H5BrFNO
Molecular Weight:
242.0445
IUPAC Name:
4-bromo-7-fluoro-1H-indole-3-carbaldehyde
InChI:
InChI=1S/C9H5BrFNO/c10-6-1-2-7(11)9-8(6)5(4-13)3-12-9/h1-4,12H
InChI Key:
UNXLHEBWSFIDRJ-UHFFFAOYSA-N
SMILES:
O=Cc1c[nH]c2c1c(Br)ccc2F
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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