| CAS Number | 731003-88-6 |
| Catalog Number | AG019INK |
| Chemical Name | 2-(4-Bromo-2-chlorobenzenesulfonamido)acetic acid |
| IUPAC Name | 2-[(4-bromo-2-chlorophenyl)sulfonylamino]acetic acid |
| InChI | InChI=1S/C8H7BrClNO4S/c9-5-1-2-7(6(10)3-5)16(14,15)11-4-8(12)13/h1-3,11H,4H2,(H,12,13) |
| InChI Key | KLOLJDKVVISHRN-UHFFFAOYSA-N |
| MDL Number | MFCD04625527 |
| Molecular Formula | C8H7BrClNO4S |
| Molecular Weight | 328.5675 |
| SMILES | OC(CNS(C1=C(Cl)C=C(Br)C=C1)(=O)=O)=O |
| Synonyms | 2-(4-bromo-2-chlorobenzenesulfonamido)acetic acid,
731003-88-6,
{[(4-bromo-2-chlorophenyl)sulfonyl]amino}acetic acid,
AC1M6TU8,
CTK7J5348,
AC1Q7630,
ZINC3289744,
AKOS008942780,
MCULE-2460774806,
NE45764,
NCGC00322580-01,
EN300-07228,
AB01318119-02,
SR-01000047721,
SR-01000047721-1,
2-[(4-bromo-2-chlorophenyl)sulfonylamino]acetic acid,
Z45658603,
CID2405285,
([(4-bromo-2-chlorophenyl)sulfonyl]amino)acetic acid,
2-[(4-bromo-2-chloro-phenyl)sulfonylamino]acetic Acid,
|
| Complexity | 356 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 326.897g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 328.561g/mol |
| Monoisotopic Mass | 326.897g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 91.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number