| CAS Number | 1375068-78-2 |
| Catalog Number | AG009WLM(AGN-PC-0WA7KR) |
| Chemical Name | 3-(Cyclopropylmethanesulfonyl)aniline |
| IUPAC Name | 3-(cyclopropylmethylsulfonyl)aniline |
| InChI | InChI=1S/C10H13NO2S/c11-9-2-1-3-10(6-9)14(12,13)7-8-4-5-8/h1-3,6,8H,4-5,7,11H2 |
| InChI Key | UPWYOJMXTOBNKF-UHFFFAOYSA-N |
| MDL Number | MFCD22205836 |
| Molecular Formula | C10H13NO2S |
| Molecular Weight | 211.2807 |
| SMILES | Nc1cccc(c1)S(=O)(=O)CC1CC1 |
| Synonyms | 3-(Cyclopropylmethanesulfonyl)aniline,
1375068-78-2,
ACMC-209ccw,
3-[(cyclopropylmethyl)sulfonyl]Benzenamine,
CTK8B0640,
DTXSID00742973,
3-cyclopropylmethanesulfonylaniline,
ANW-20286,
MFCD22205836,
ZINC85477208,
AKOS019751894,
DA-11001,
TC-109031,
FT-0736684,
V2732,
K-4440,
C10H13NO2S,
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| Complexity | 290 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 211.067g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 211.279g/mol |
| Monoisotopic Mass | 211.067g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 68.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number