| CAS Number | 1227271-03-5 |
| Catalog Number | AG000J7K(AGN-PC-0HG8Y1) |
| Chemical Name | 1H-Pyrrolo[2,3-b]pyridine, 2-bromo-1-(phenylsulfonyl)- |
| IUPAC Name | 1-(benzenesulfonyl)-2-bromopyrrolo[2,3-b]pyridine |
| InChI | InChI=1S/C13H9BrN2O2S/c14-12-9-10-5-4-8-15-13(10)16(12)19(17,18)11-6-2-1-3-7-11/h1-9H |
| InChI Key | KOFVJNXDFFCCBB-UHFFFAOYSA-N |
| MDL Number | MFCD16875828 |
| Molecular Formula | C13H9BrN2O2S |
| Molecular Weight | 337.1918 |
| SMILES | BrC(N1S(=O)(C2=CC=CC=C2)=O)=CC3=C1N=CC=C3 |
| Synonyms | 1227271-03-5,
2-bromo-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridine,
1-(phenylsulfonyl)-2-bromo-7-azaindole,
1H-Pyrrolo[2,3-b]pyridine, 2-bromo-1-(phenylsulfonyl)-,
SCHEMBL2590156,
KS-00000M3B,
ZINC95919998,
AK476164,
DA-14050,
DS-18879,
FT-0760569,
1-(benzenesulfonyl)-2-bromopyrrolo[2,3-b]pyridine,
1-(Phenylsulphonyl)-2-broMo-7-azaindole,
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| Complexity | 417 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 335.95681g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 337.19g/mol |
| Monoisotopic Mass | 335.95681g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 60.3Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number