| CAS Number | 1072945-56-2 |
| Catalog Number | AG003IGQ(AGN-PC-0WA7QV) |
| Chemical Name | 3,4-Difluoro-2-Methoxyaniline Sulfate |
| IUPAC Name | 3,4-difluoro-2-methoxyaniline;sulfuric acid |
| InChI | InChI=1S/C7H7F2NO.H2O4S/c1-11-7-5(10)3-2-4(8)6(7)9;1-5(2,3)4/h2-3H,10H2,1H3;(H2,1,2,3,4) |
| InChI Key | PQVPJVCSMVAHPE-UHFFFAOYSA-N |
| MDL Number | MFCD11053865 |
| Molecular Formula | C7H9F2NO5S |
| Molecular Weight | 257.2119 |
| SMILES | NC1=CC=C(F)C(F)=C1OC.O=S(O)(O)=O |
| Synonyms | 3,4-Difluoro-2-methoxyaniline sulfate,
1072945-56-2,
C7H7F2NO.H2O4S,
ACMC-2098q4,
CTK4A5188,
DTXSID10674630,
ANW-15578,
MFCD11053865,
AKOS015856611,
RTR-001508,
AX8230527,
ST2404581,
TR-001508,
Z7002,
I14-24572,
Sulfuric acid--3,4-difluoro-2-methoxyaniline (1/1),
A-4501,
|
| Complexity | 215 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 257.017g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 257.208g/mol |
| Monoisotopic Mass | 257.017g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 118A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number