| CAS Number | 1227267-17-5 |
| Catalog Number | AG000J33(AGN-PC-0WCKYI) |
| Chemical Name | 1H-Pyrrolo[3,2-c]pyridine, 6-chloro-2-iodo-1-(phenylsulfonyl)- |
| IUPAC Name | 1-(benzenesulfonyl)-6-chloro-2-iodopyrrolo[3,2-c]pyridine |
| InChI | InChI=1S/C13H8ClIN2O2S/c14-12-7-11-9(8-16-12)6-13(15)17(11)20(18,19)10-4-2-1-3-5-10/h1-8H |
| InChI Key | JSJQNHSTBZYPQY-UHFFFAOYSA-N |
| MDL Number | MFCD16875875 |
| Molecular Formula | C13H8ClIN2O2S |
| Molecular Weight | 418.6373 |
| SMILES | IC(N1S(=O)(C2=CC=CC=C2)=O)=CC3=C1C=C(Cl)N=C3 |
| Synonyms | 1-(PHENYLSULFONYL)-6-CHLORO-2-IODO-5-AZAINDOLE,
1227267-17-5,
1-(benzenesulfonyl)-6-chloro-2-iodo-1H-pyrrolo[3,2-c]pyridine,
KS-000007LL,
MFCD16875875,
ZINC95708065,
PB27042,
AK184444,
AS-51126,
CS-0052838,
Q-3244,
1-(BENZENESULFONYL)-6-CHLORO-2-IODOPYRROLO[3,2-C]PYRIDINE,
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| Complexity | 450 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 417.904g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 418.633g/mol |
| Monoisotopic Mass | 417.904g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 60.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number