| CAS Number | 327081-37-8 |
| Catalog Number | AG00I68C(AGN-PC-0WOHYS) |
| Chemical Name | 4-(5-Bromo-thiophene-2-sulfonylamino)-benzoic acid |
| IUPAC Name | 4-[(5-bromothiophen-2-yl)sulfonylamino]benzoic acid |
| InChI | InChI=1S/C11H8BrNO4S2/c12-9-5-6-10(18-9)19(16,17)13-8-3-1-7(2-4-8)11(14)15/h1-6,13H,(H,14,15) |
| InChI Key | SBIPZVAOGNIHPK-UHFFFAOYSA-N |
| MDL Number | MFCD02707153 |
| Molecular Formula | C11H8BrNO4S2 |
| Molecular Weight | 362.2195 |
| SMILES | O=C(O)C1=CC=C(NS(=O)(C2=CC=C(Br)S2)=O)C=C1 |
| Synonyms | 4-(5-Bromo-thiophene-2-sulfonylamino)-benzoic acid,
327081-37-8,
4-(5-bromothiophene-2-sulfonamido)benzoic acid,
AC1Q73EH,
4-[(5-bromothiophen-2-yl)sulfonylamino]benzoic Acid,
AC1M540P,
CTK7I8059,
ZINC3192444,
MFCD02707153,
AKOS000114979,
MCULE-3324705484,
NE44242,
V5195,
EN300-00456,
4-(2-bromothiophene-5-sulfonamido) benzoic acid,
SR-01000029027,
J-018851,
SR-01000029027-1,
Z45512378,
C11H8BrNO4S2,
CID2321417,
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| Complexity | 429 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 360.908g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 362.212g/mol |
| Monoisotopic Mass | 360.908g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 120A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number