| CAS Number | 329926-78-5 |
| Catalog Number | AG003J6O(AGN-PC-0WA8EQ) |
| Chemical Name | 3-Chloro-2-fluoro-4-thiocyanatoaniline |
| IUPAC Name | (4-amino-2-chloro-3-fluorophenyl) thiocyanate |
| InChI | InChI=1S/C7H4ClFN2S/c8-6-5(12-3-10)2-1-4(11)7(6)9/h1-2H,11H2 |
| InChI Key | RCUGVUCRZOXCHL-UHFFFAOYSA-N |
| MDL Number | MFCD12026028 |
| Molecular Formula | C7H4ClFN2S |
| Molecular Weight | 202.6365 |
| SMILES | NC1=C(F)C(Cl)=C(SC#N)C=C1 |
| Synonyms | 3-Chloro-2-fluoro-4-thiocyanatoaniline,
329926-78-5,
2-fluoro-3-chloro-4-thiocyanato-aniline,
ACMC-209hxm,
SCHEMBL6564125,
CTK4G9679,
DTXSID00634162,
ANW-27512,
MFCD12026028,
ZINC38537403,
AKOS015848716,
RTR-013829,
TR-013829,
4-Amino-2-chloro-3-fluorophenyl thiocyanate,
V5212,
K-7621,
I09-2150,
C7H4ClFN2S,
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| Complexity | 205 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 201.977g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 202.631g/mol |
| Monoisotopic Mass | 201.977g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 75.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number