| CAS Number | 1001412-59-4 |
| Catalog Number | AG00012H(AGN-PC-04QL5S) |
| Chemical Name | 1H-Pyrrolo[2,3-B]Pyridine-3-Sulfonyl Chloride |
| IUPAC Name | 1H-pyrrolo[2,3-b]pyridine-3-sulfonyl chloride |
| InChI | InChI=1S/C7H5ClN2O2S/c8-13(11,12)6-4-10-7-5(6)2-1-3-9-7/h1-4H,(H,9,10) |
| InChI Key | CNZIHLRMHLLIJQ-UHFFFAOYSA-N |
| MDL Number | MFCD12402502 |
| Molecular Formula | C7H5ClN2O2S |
| Molecular Weight | 216.6448 |
| SMILES | O=S(C1=CNC2=NC=CC=C21)(Cl)=O |
| Synonyms | 1H-pyrrolo[2,3-b]pyridine-3-sulfonyl chloride,
1001412-59-4,
AC1Q3VN9,
SCHEMBL15064398,
CTK6H8752,
DTXSID40647175,
MFCD12402502,
AKOS005214176,
ZINC100290173,
MCULE-4516567211,
NE62512,
SB14169,
KS-000005S2,
AN-26035,
AS-53550,
DB-058307,
CS-0052497,
FT-0736842,
EN300-51255,
412P594,
|
| Complexity | 287 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 215.976g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 216.639g/mol |
| Monoisotopic Mass | 215.976g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 71.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H332-H335
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Packing Group
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Precautionary statements
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P280-P305+P351+P338-P310
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UN Code
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Certificate of Analysis
Lot Number