| CAS Number | 1449132-27-7 |
| Catalog Number | AG01FN3J(AGN-PC-0WCOI6) |
| Chemical Name | ((3-Chlorophenyl)sulfonyl)phenylalanine |
| IUPAC Name | 2-[(3-chlorophenyl)sulfonylamino]-3-phenylpropanoic acid |
| InChI | InChI=1S/C15H14ClNO4S/c16-12-7-4-8-13(10-12)22(20,21)17-14(15(18)19)9-11-5-2-1-3-6-11/h1-8,10,14,17H,9H2,(H,18,19) |
| InChI Key | XZBAIPMBXLSRKT-UHFFFAOYSA-N |
| MDL Number | MFCD07433680 |
| Molecular Formula | C15H14ClNO4S |
| Molecular Weight | 339.7940 |
| SMILES | C1=CC=C(C=C1)CC(C(O)=O)NS(=O)(=O)C2C=C(Cl)C=CC=2 |
| Synonyms | MFCD07433680,
((3-chlorophenyl)sulfonyl)phenylalanine,
1449132-27-7,
N-(3-Chlorophenylsulfonyl)-DL-phenylalanine,
2-(3-chlorophenylsulfonamido)-3-phenylpropanoic acid,
AKOS000813616,
AKOS016049967,
MCULE-7016119286,
F9995-0622,
1164136-10-0,
|
| Complexity | 470 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 339.033g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 339.79g/mol |
| Monoisotopic Mass | 339.033g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 91.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
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Certificate of Analysis
Lot Number