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1009838-58-7 | 1H-Pyrrolo[2,3-b]pyridine-3-carbonitrile, 6-chloro-4-(2,4-dichlorophenyl)-
CAS No: 1009838-58-7 Catalog No: AG0003DA MDL No:
Product Description
Catalog Number:
AG0003DA
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine-3-carbonitrile, 6-chloro-4-(2,4-dichlorophenyl)-
CAS Number:
1009838-58-7
Molecular Formula:
C14H6Cl3N3
Molecular Weight:
322.5765
IUPAC Name:
6-chloro-4-(2,4-dichlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile
InChI:
InChI=1S/C14H6Cl3N3/c15-8-1-2-9(11(16)3-8)10-4-12(17)20-14-13(10)7(5-18)6-19-14/h1-4,6H,(H,19,20)
InChI Key:
AKLPIRULQXYNJS-UHFFFAOYSA-N
SMILES:
N#Cc1c[nH]c2c1c(cc(n2)Cl)c1ccc(cc1Cl)Cl
Properties
Complexity:
410
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.963g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
322.573g/mol
Monoisotopic Mass:
320.963g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
52.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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