| CAS Number | 1008472-78-3 |
| Catalog Number | AG00902F(AGN-PC-0WBQ3G) |
| Chemical Name | 2-[4-(2-chlorophenoxy)benzenesulfonamido]propanoic acid |
| IUPAC Name | 2-[[4-(2-chlorophenoxy)phenyl]sulfonylamino]propanoic acid |
| InChI | InChI=1S/C15H14ClNO5S/c1-10(15(18)19)17-23(20,21)12-8-6-11(7-9-12)22-14-5-3-2-4-13(14)16/h2-10,17H,1H3,(H,18,19) |
| InChI Key | IETNEQSPEDIHAV-UHFFFAOYSA-N |
| MDL Number | MFCD03619094 |
| Molecular Formula | C15H14ClNO5S |
| Molecular Weight | 355.7934 |
| SMILES | CC(NS(=O)(=O)c1ccc(Oc2ccccc2Cl)cc1)C(O)=O |
| Synonyms | 1008472-78-3,
((4-(2-chlorophenoxy)phenyl)sulfonyl)alanine,
N-[4-(2-Chlorophenoxy)phenylsulfonyl]-DL-alanine,
AC1MNB32,
2-[[4-(2-chlorophenoxy)phenyl]sulfonylamino]propanoic Acid,
MFCD03619094,
AKOS000805727,
AKOS016055263,
MCULE-1537644682,
Z56882222,
2-(4-(2-chlorophenoxy)phenylsulfonamido)propanoic acid,
2-[4-(2-chlorophenoxy)benzenesulfonamido]propanoic acid,
F1408-0029,
CID3301090,
ALANINE, N-[[4-(2-CHLOROPHENOXY)PHENYL]SULFONYL]-,
|
| Complexity | 499 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 355.028g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 355.789g/mol |
| Monoisotopic Mass | 355.028g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 101A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number