| CAS Number | 1192217-75-6 |
| Catalog Number | AG000IEG(AGN-PC-0WD825) |
| Chemical Name | 1H-Pyrrole, 3-bromo-1-(phenylsulfonyl)- |
| IUPAC Name | 1-(benzenesulfonyl)-3-bromopyrrole |
| InChI | InChI=1S/C10H8BrNO2S/c11-9-6-7-12(8-9)15(13,14)10-4-2-1-3-5-10/h1-8H |
| InChI Key | TZJNJSNVXSVBMF-UHFFFAOYSA-N |
| MDL Number | MFCD13186766 |
| Molecular Formula | C10H8BrNO2S |
| Molecular Weight | 286.1450 |
| SMILES | BrC1=CN(S(=O)(C2=CC=CC=C2)=O)C=C1 |
| Synonyms | 1-(benzenesulfonyl)-3-bromo-1H-pyrrole,
1192217-75-6,
3-Bromo-1-(phenylsulfonyl)-1H-pyrrole,
SCHEMBL1076218,
KS-000005MP,
MFCD13186766,
ZINC72266175,
AKOS027338390,
1-(Phenylsulfonyl)-3-bromo-1H-pyrrole,
AS-52520,
CS-0052844,
1-BENZENESULFONYL-3-BROMO-1H-PYRROLE,
|
| Complexity | 306 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 284.946g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 286.143g/mol |
| Monoisotopic Mass | 284.946g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 47.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number