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Home > Aldehydes > 1467059-87-5
1467059-87-5 | 1H-Indole-3-carboxaldehyde, 5-bromo-6-chloro-
CAS No: 1467059-87-5 Catalog No: AG001E8W MDL No:
Product Description
Catalog Number:
AG001E8W
Chemical Name:
1H-Indole-3-carboxaldehyde, 5-bromo-6-chloro-
CAS Number:
1467059-87-5
Molecular Formula:
C9H5BrClNO
Molecular Weight:
258.4991
IUPAC Name:
5-bromo-6-chloro-1H-indole-3-carbaldehyde
InChI:
InChI=1S/C9H5BrClNO/c10-7-1-6-5(4-13)3-12-9(6)2-8(7)11/h1-4,12H
InChI Key:
ISNMSGBNFQGRLG-UHFFFAOYSA-N
SMILES:
O=Cc1c[nH]c2c1cc(Br)c(c2)Cl
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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