| CAS Number | 77408-67-4 |
| Catalog Number | AG01EB9K(AGN-PC-0JMBPI) |
| Chemical Name | 1,2-benzoxazol-3-yl 4-acetamidobenzene-1-sulfonate |
| IUPAC Name | 1,2-benzoxazol-3-yl 4-acetamidobenzenesulfonate |
| InChI | InChI=1S/C15H12N2O5S/c1-10(18)16-11-6-8-12(9-7-11)23(19,20)22-15-13-4-2-3-5-14(13)21-17-15/h2-9H,1H3,(H,16,18) |
| InChI Key | SIXNKGXJEIVCDH-UHFFFAOYSA-N |
| MDL Number | MFCD30470106 |
| Molecular Formula | C15H12N2O5S |
| Molecular Weight | 332.3312 |
| NSC Number | 355390 |
| SMILES | CC(NC1=CC=C(S(OC2C3=C(C=CC=C3)ON=2)(=O)=O)C=C1)=O |
| Synonyms | 77408-67-4,
NSC355390,
AC1L7LRB,
N-(4-benzo[d]isoxazol-3-yloxysulfonylphenyl)acetamide,
DTXSID00320154,
ZINC1582848,
AKOS028111005,
NSC-355390,
1,2-benzoxazol-3-yl 4-acetamidobenzenesulfonate,
1,2-Benzoxazol-3-yl 4-acetamidobenzene-1-sulfonate,
CID337454,
|
| Complexity | 525 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 332.047g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 332.33g/mol |
| Monoisotopic Mass | 332.047g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 107A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number