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1227270-84-9 | 1H-Pyrrolo[2,3-b]pyridine, 2-chloro-4-fluoro-1-(phenylsulfonyl)-
CAS No: 1227270-84-9 Catalog No: AG000J6X MDL No:
Product Description
Catalog Number:
AG000J6X
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine, 2-chloro-4-fluoro-1-(phenylsulfonyl)-
CAS Number:
1227270-84-9
Molecular Formula:
C13H8ClFN2O2S
Molecular Weight:
310.7312
IUPAC Name:
1-(benzenesulfonyl)-2-chloro-4-fluoropyrrolo[2,3-b]pyridine
InChI:
InChI=1S/C13H8ClFN2O2S/c14-12-8-10-11(15)6-7-16-13(10)17(12)20(18,19)9-4-2-1-3-5-9/h1-8H
InChI Key:
IPWZAROOEFPHKL-UHFFFAOYSA-N
SMILES:
Fc1ccnc2c1cc(n2S(=O)(=O)c1ccccc1)Cl
Properties
Complexity:
450
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.998g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
310.727g/mol
Monoisotopic Mass:
309.998g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
60.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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