| CAS Number | 1249447-08-2 |
| Catalog Number | AG00HHUK(AGN-PC-0WNR78) |
| Chemical Name | 5-(3-chlorophenyl)-1,3-thiazol-2-amine |
| IUPAC Name | 5-(3-chlorophenyl)-1,3-thiazol-2-amine |
| InChI | InChI=1S/C9H7ClN2S/c10-7-3-1-2-6(4-7)8-5-12-9(11)13-8/h1-5H,(H2,11,12) |
| InChI Key | QPKXBEAXNVKWQP-UHFFFAOYSA-N |
| MDL Number | MFCD14600376 |
| Molecular Formula | C9H7ClN2S |
| Molecular Weight | 210.6833 |
| SMILES | NC1SC(C2=CC(Cl)=CC=C2)=CN=1 |
| Synonyms | 5-(3-Chlorophenyl)thiazol-2-amine,
1249447-08-2,
5-(3-chlorophenyl)-1,3-thiazol-2-amine,
SCHEMBL2406426,
DTXSID50734141,
5-(3-chlorophenyl)-2-Thiazolamine,
4727AA,
ZINC44367186,
AKOS010476900,
MCULE-4614229758,
NE45174,
AJ-109651,
DB-019647,
FT-0747521,
C9H7ClN2S,
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| Complexity | 179 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 210.002g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 210.679g/mol |
| Monoisotopic Mass | 210.002g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 67.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number