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98600-34-1 | 4-Bromoindole-3-carboxyaldehyde
CAS No: 98600-34-1 Catalog No: AG003L00 MDL No:MFCD05864695
Product Description
Catalog Number:
AG003L00
Chemical Name:
4-Bromoindole-3-carboxyaldehyde
CAS Number:
98600-34-1
Molecular Formula:
C9H6BrNO
Molecular Weight:
224.0540
MDL Number:
MFCD05864695
IUPAC Name:
4-bromo-1H-indole-3-carbaldehyde
InChI:
InChI=1S/C9H6BrNO/c10-7-2-1-3-8-9(7)6(5-12)4-11-8/h1-5,11H
InChI Key:
IPAFHZDRYAWZOB-UHFFFAOYSA-N
SMILES:
O=Cc1c[nH]c2c1c(Br)ccc2
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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