| CAS Number | 36674-50-7 |
| Catalog Number | AG00IX72(AGN-PC-0L601M) |
| Chemical Name | 1-(Benzenesulfonyl)cyclopropane-1-carbonitrile |
| IUPAC Name | 1-(benzenesulfonyl)cyclopropane-1-carbonitrile |
| InChI | InChI=1S/C10H9NO2S/c11-8-10(6-7-10)14(12,13)9-4-2-1-3-5-9/h1-5H,6-7H2 |
| InChI Key | WNGQBJMKDBITJT-UHFFFAOYSA-N |
| MDL Number | MFCD00170304 |
| Molecular Formula | C10H9NO2S |
| Molecular Weight | 207.249 |
| SMILES | S(=O)(=O)(C1(=CC=CC=C1))C2(C#N)(CC2) |
| Synonyms | 1-(phenylsulfonyl)cyclopropanecarbonitrile,
1-(benzenesulfonyl)cyclopropane-1-carbonitrile,
36674-50-7,
AC1N52FS,
SCHEMBL2786645,
CTK7C5657,
KS-000028JO,
ZINC2543522,
MFCD00170304,
SBB062380,
AKOS009144435,
MCULE-2676689941,
MS-6291,
AE-848/33587026,
CID4138334,
|
| Complexity | 361 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 207.035g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 207.247g/mol |
| Monoisotopic Mass | 207.035g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 66.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
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Certificate of Analysis
Lot Number