| CAS Number | 923794-30-3 |
| Catalog Number | AG019K33 |
| Chemical Name | 2-(1H-1,3-benzodiazol-2-yl)-2-methanesulfonylacetaldehyde |
| IUPAC Name | 2-(1H-benzimidazol-2-yl)-2-methylsulfonylacetaldehyde |
| InChI | InChI=1S/C10H10N2O3S/c1-16(14,15)9(6-13)10-11-7-4-2-3-5-8(7)12-10/h2-6,9H,1H3,(H,11,12) |
| InChI Key | CDMDPRCFRUTREL-UHFFFAOYSA-N |
| MDL Number | MFCD08444339 |
| Molecular Formula | C10H10N2O3S |
| Molecular Weight | 238.2630 |
| SMILES | CS(C(C1NC2=C(C=CC=C2)N=1)C=O)(=O)=O |
| Synonyms | 2-(1H-1,3-benzodiazol-2-yl)-2-methanesulfonylacetaldehyde,
1H-benzimidazol-2-yl(methylsulfonyl)acetaldehyde,
923794-30-3,
AC1Q4GFP,
CTK7H7727,
AKOS030739229,
MCULE-3277798010,
NE50132,
EN300-25340,
2-(1H-benzo[d]imidazol-2-yl)-2-(methylsulfonyl)acetaldehyde,
|
| Complexity | 363 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 238.041g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 238.261g/mol |
| Monoisotopic Mass | 238.041g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 88.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
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