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Home > Aldehydes > 105191-12-6
105191-12-6 | 6-Bromo-1H-indole-2-carbaldehyde
CAS No: 105191-12-6 Catalog No: AG007X21 MDL No:MFCD06738308
Product Description
Catalog Number:
AG007X21
Chemical Name:
6-Bromo-1H-indole-2-carbaldehyde
CAS Number:
105191-12-6
Molecular Formula:
C9H6BrNO
Molecular Weight:
224.0540
MDL Number:
MFCD06738308
IUPAC Name:
6-bromo-1H-indole-2-carbaldehyde
InChI:
InChI=1S/C9H6BrNO/c10-7-2-1-6-3-8(5-12)11-9(6)4-7/h1-5,11H
InChI Key:
IGZHNWFLHSANSN-UHFFFAOYSA-N
SMILES:
O=Cc1cc2c([nH]1)cc(cc2)Br
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:
2.5
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