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Home > Aldehydes > 115666-31-4
115666-31-4 | 1H-Indole-3-carboxaldehyde, 6-chloro-4-iodo-
CAS No: 115666-31-4 Catalog No: AG000GQS MDL No:
Product Description
Catalog Number:
AG000GQS
Chemical Name:
1H-Indole-3-carboxaldehyde, 6-chloro-4-iodo-
CAS Number:
115666-31-4
Molecular Formula:
C9H5ClINO
Molecular Weight:
305.4996
IUPAC Name:
6-chloro-4-iodo-1H-indole-3-carbaldehyde
InChI:
InChI=1S/C9H5ClINO/c10-6-1-7(11)9-5(4-13)3-12-8(9)2-6/h1-4,12H
InChI Key:
SQXFQFAMNUXKTL-UHFFFAOYSA-N
SMILES:
O=Cc1c[nH]c2c1c(I)cc(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:
304.91g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
305.499g/mol
Monoisotopic Mass:
304.91g/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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