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1245649-52-8 | 1H-Pyrrolo[2,3-b]pyridine, 4-chloro-5-nitro-1-(phenylsulfonyl)-
CAS No: 1245649-52-8 Catalog No: AG000MDA MDL No:MFCD18072770
Product Description
Catalog Number:
AG000MDA
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine, 4-chloro-5-nitro-1-(phenylsulfonyl)-
CAS Number:
1245649-52-8
Molecular Formula:
C13H8ClN3O4S
Molecular Weight:
337.7383
MDL Number:
MFCD18072770
IUPAC Name:
1-(benzenesulfonyl)-4-chloro-5-nitropyrrolo[2,3-b]pyridine
InChI:
InChI=1S/C13H8ClN3O4S/c14-12-10-6-7-16(13(10)15-8-11(12)17(18)19)22(20,21)9-4-2-1-3-5-9/h1-8H
InChI Key:
VDNRYINHXTYMIT-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cnc2c(c1Cl)ccn2S(=O)(=O)c1ccccc1
Properties
Complexity:
526
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
336.992g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
337.734g/mol
Monoisotopic Mass:
336.992g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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