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Home > Aldehydes > 1781423-16-2
1781423-16-2 | 1H-Indole-3-carboxaldehyde, 6-bromo-5-chloro-
CAS No: 1781423-16-2 Catalog No: AG0025S8 MDL No:MFCD28501576
Product Description
Catalog Number:
AG0025S8
Chemical Name:
1H-Indole-3-carboxaldehyde, 6-bromo-5-chloro-
CAS Number:
1781423-16-2
Molecular Formula:
C9H5BrClNO
Molecular Weight:
258.4991
MDL Number:
MFCD28501576
IUPAC Name:
6-bromo-5-chloro-1H-indole-3-carbaldehyde
InChI:
InChI=1S/C9H5BrClNO/c10-7-2-9-6(1-8(7)11)5(4-13)3-12-9/h1-4,12H
InChI Key:
WWTYGQFNQNVZMJ-UHFFFAOYSA-N
SMILES:
O=Cc1c[nH]c2c1cc(Cl)c(c2)Br
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.924g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
258.499g/mol
Monoisotopic Mass:
256.924g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
32.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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