| CAS Number | 90916-29-3 |
| Catalog Number | AG003SPQ(AGN-PC-0WANUC) |
| Chemical Name | N-ALLOC-2-NITROBENZENESULFONAMIDE |
| IUPAC Name | prop-2-enyl N-(2-nitrophenyl)sulfonylcarbamate |
| InChI | InChI=1S/C10H10N2O6S/c1-2-7-18-10(13)11-19(16,17)9-6-4-3-5-8(9)12(14)15/h2-6H,1,7H2,(H,11,13) |
| InChI Key | CRGOQFIAULBODK-UHFFFAOYSA-N |
| MDL Number | MFCD06797039 |
| Molecular Formula | C10H10N2O6S |
| Molecular Weight | 286.2612 |
| SMILES | O=S(C1=CC=CC=C1[N+]([O-])=O)(NC(OCC=C)=O)=O |
| Synonyms | N-Allyloxycarbonyl-2-nitrobenzenesulfonamide,
90916-29-3,
N-Alloc-2-nitrobenzenesulfonamide,
Allyl (2-nitrophenyl)sulfonylcarbamate,
ACMC-209r7f,
SCHEMBL4394873,
C10H10N2O6S,
CTK8B2662,
DTXSID40452741,
ANW-39529,
MFCD06797039,
ZINC35977410,
AKOS015839093,
AB1011472,
TR-028523,
X7311,
(2-Nitrophenylsulfonyl)carbamic acid allyl ester,
CID11033445,
A1632,
N -Allyloxycarbonyl-2-nitrobenzenesulfonamide,
Prop-2-enyl N-(2-nitrophenyl)sulfonylcarbamate,
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| Complexity | 450 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 286.026g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 286.258g/mol |
| Monoisotopic Mass | 286.026g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 127A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number