| CAS Number | 25355-76-4 |
| Catalog Number | AG00BJ5L(AGN-PC-0WCJI5) |
| Chemical Name | 4-(propane-2-sulfonyl)aniline |
| IUPAC Name | 4-propan-2-ylsulfonylaniline |
| InChI | InChI=1S/C9H13NO2S/c1-7(2)13(11,12)9-5-3-8(10)4-6-9/h3-7H,10H2,1-2H3 |
| InChI Key | DIHIFAYUBGSXGR-UHFFFAOYSA-N |
| MDL Number | MFCD01566617 |
| Molecular Formula | C9H13NO2S |
| Molecular Weight | 199.2700 |
| SMILES | NC1=CC=C(S(=O)(C(C)C)=O)C=C1 |
| Synonyms | 4-(Isopropylsulfonyl)aniline,
25355-76-4,
4-(PROPANE-2-SULFONYL)ANILINE,
4-propan-2-ylsulfonylaniline,
AC1LBRHB,
SCHEMBL396609,
DIHIFAYUBGSXGR-UHFFFAOYSA-N,
KS-000005IU,
KM5577,
MFCD01566617,
ZINC22199450,
AKOS010627048,
CS-0035889,
CID587737,
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| Complexity | 245 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 199.067g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 199.268g/mol |
| Monoisotopic Mass | 199.067g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 68.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number