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Home > Aldehydes > 918482-43-6
918482-43-6 | 1H-Indole-3-carboxaldehyde, 2-(4-chloro-3-nitrophenyl)-
CAS No: 918482-43-6 Catalog No: AG006Q6L MDL No:
Product Description
Catalog Number:
AG006Q6L
Chemical Name:
1H-Indole-3-carboxaldehyde, 2-(4-chloro-3-nitrophenyl)-
CAS Number:
918482-43-6
Molecular Formula:
C15H9ClN2O3
Molecular Weight:
300.6966
IUPAC Name:
2-(4-chloro-3-nitrophenyl)-1H-indole-3-carbaldehyde
InChI:
InChI=1S/C15H9ClN2O3/c16-12-6-5-9(7-14(12)18(20)21)15-11(8-19)10-3-1-2-4-13(10)17-15/h1-8,17H
InChI Key:
KZTZJWKGGRNBAN-UHFFFAOYSA-N
SMILES:
O=Cc1c([nH]c2c1cccc2)c1ccc(c(c1)[N+](=O)[O-])Cl
Properties
Complexity:
414
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.03g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
300.698g/mol
Monoisotopic Mass:
300.03g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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