| CAS Number | 70972-83-7 |
| Catalog Number | AG00IVIH(AGN-PC-0WB2G3) |
| Chemical Name | Methyl 2-diazo-2-(phenylsulfonyl)acetate |
| IUPAC Name | methyl 2-(benzenesulfonyl)-2-diazoacetate |
| InChI | InChI=1S/C9H8N2O4S/c1-15-9(12)8(11-10)16(13,14)7-5-3-2-4-6-7/h2-6H,1H3 |
| InChI Key | KPNCGLSDUFKJNV-UHFFFAOYSA-N |
| MDL Number | MFCD29042760 |
| Molecular Formula | C9H8N2O4S |
| Molecular Weight | 240.2358 |
| SMILES | S(=O)(=O)(C1(=CC=CC=C1))C(=[N+]=[N-])C(=O)OC |
| Synonyms | Methyl 2-diazo-2-(phenylsulfonyl)acetate,
70972-83-7,
SCHEMBL13118694,
KS-000029TB,
AKOS025395309,
ZINC142412007,
NS-00040,
methyl 2-(benzenesulfonyl)-2-diazoacetate,
CID10800061,
(E)-2-(benzenesulfonyl)-2-diazonio-1-methoxy-ethenolate,
|
| Complexity | 411 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 240.02g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 240.233g/mol |
| Monoisotopic Mass | 240.02g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 70.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 1.6 |
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Certificate of Analysis
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