| CAS Number | 100418-51-7 |
| Catalog Number | AG00H982(AGN-PC-0OPOZH) |
| Chemical Name | 2-(4-Nitrophenylamino)ethyl methanesulfonate |
| IUPAC Name | 2-(4-nitroanilino)ethyl methanesulfonate |
| InChI | InChI=1S/C9H12N2O5S/c1-17(14,15)16-7-6-10-8-2-4-9(5-3-8)11(12)13/h2-5,10H,6-7H2,1H3 |
| InChI Key | YKTPZHLIRGSOOQ-UHFFFAOYSA-N |
| MDL Number | MFCD25954045 |
| Molecular Formula | C9H12N2O5S |
| Molecular Weight | 260.2670 |
| NSC Number | 100773 |
| SMILES | [O-][N+](=O)c1ccc(cc1)NCCOS(=O)(=O)C |
| Synonyms | 100418-51-7,
2-(4-Nitrophenylamino)ethyl methanesulfonate,
N-(2-mesyloxyethyl)-4-nitroaniline,
NSC100773,
AC1L6D21,
SCHEMBL10805478,
CTK5I3283,
ZINC4826289,
NSC-100773,
2-(4-nitroanilino)ethyl methanesulfonate,
2-[(4-nitrophenyl)amino]ethyl methanesulfonate,
Methanesulfonic acid 2-(4-nitrophenylamino)ethyl ester,
Ethanol, 2-[(4-nitrophenyl)amino]-, methanesulfonate (ester),
CID265009,
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| Complexity | 337 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 260.047g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 260.264g/mol |
| Monoisotopic Mass | 260.047g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 110A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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