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877-03-2 | 5-Bromoindole-3-Carboxaldehyde
CAS No: 877-03-2 Catalog No: AG00348C MDL No:MFCD00152016
Product Description
Catalog Number:
AG00348C
Chemical Name:
5-Bromoindole-3-Carboxaldehyde
CAS Number:
877-03-2
Molecular Formula:
C9H6BrNO
Molecular Weight:
224.0540
MDL Number:
MFCD00152016
IUPAC Name:
5-bromo-1H-indole-3-carbaldehyde
InChI:
InChI=1S/C9H6BrNO/c10-7-1-2-9-8(3-7)6(5-12)4-11-9/h1-5,11H
InChI Key:
PEENKJZANBYXNB-UHFFFAOYSA-N
SMILES:
O=Cc1c[nH]c2c1cc(Br)cc2
EC Number:
212-884-7
NSC Number:
66831
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:
2.4
Literature
| Title | Journal |
|---|---|
| Investigation of antimicrobial activities of indole-3-aldehyde hydrazide/hydrazone derivatives. | Chemotherapy 20090101 |
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