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Home > Aldehydes > 1260228-64-5
1260228-64-5 | 3-bromo-1H-indole-5-carbaldehyde
CAS No: 1260228-64-5 Catalog No: AG01DKAL MDL No:MFCD28663890
Product Description
Catalog Number:
AG01DKAL
Chemical Name:
3-bromo-1H-indole-5-carbaldehyde
CAS Number:
1260228-64-5
Molecular Formula:
C9H6BrNO
Molecular Weight:
224.0540
MDL Number:
MFCD28663890
IUPAC Name:
3-bromo-1H-indole-5-carbaldehyde
InChI:
InChI=1S/C9H6BrNO/c10-8-4-11-9-2-1-6(5-12)3-7(8)9/h1-5,11H
InChI Key:
DRKKTNWTMMFTII-UHFFFAOYSA-N
SMILES:
Brc1c[nH]c2c1cc(C=O)cc2
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.963g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
224.057g/mol
Monoisotopic Mass:
222.963g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
32.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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