| CAS Number | 29124-54-7 |
| Catalog Number | AG00BNFJ(AGN-PC-0R4VC0) |
| Chemical Name | 5-Chloro-2-methanesulfonylaniline |
| IUPAC Name | 5-chloro-2-methylsulfonylaniline |
| InChI | InChI=1S/C7H8ClNO2S/c1-12(10,11)7-3-2-5(8)4-6(7)9/h2-4H,9H2,1H3 |
| InChI Key | GZPZIEPSQSEDLT-UHFFFAOYSA-N |
| MDL Number | MFCD09942114 |
| Molecular Formula | C7H8ClNO2S |
| Molecular Weight | 205.6619 |
| SMILES | CS(C1=C(N)C=C(Cl)C=C1)(=O)=O |
| Synonyms | 5-Chloro-2-(methylsulfonyl)aniline,
29124-54-7,
5-Chloro-2-methanesulfonylaniline,
Benzenamine, 5-chloro-2-(methylsulfonyl)-,
5-chloro-2-methylsulfonylaniline,
Aniline, 5-chloro-2-(methylsulfonyl)-,
AC1Q6TP1,
AC1L3Q65,
DTXSID3067443,
SCHEMBL19174817,
GZPZIEPSQSEDLT-UHFFFAOYSA-N,
ZINC6019609,
AKOS000187888,
C7-H8-Cl-N-O2-S,
AR-1G7688,
CID120138,
29950-11-6,
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| Complexity | 247 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 204.996g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 205.656g/mol |
| Monoisotopic Mass | 204.996g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 68.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number