| CAS Number | 1171562-77-8 |
| Catalog Number | AG00HDTJ |
| Chemical Name | [2-Methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetic acid hydrobromide |
| IUPAC Name | 2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetic acid;hydrobromide |
| InChI | InChI=1S/C13H13NO2S.BrH/c1-8-3-5-10(6-4-8)13-11(7-12(15)16)17-9(2)14-13;/h3-6H,7H2,1-2H3,(H,15,16);1H |
| InChI Key | XKFNDPSGAPGKQC-UHFFFAOYSA-N |
| MDL Number | MFCD08448140 |
| Molecular Formula | C13H14BrNO2S |
| Molecular Weight | 328.2248 |
| SMILES | Br.CC1SC(CC(O)=O)=C(C2=CC=C(C)C=C2)N=1 |
| Synonyms | [2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetic acid hydrobromide,
1171562-77-8,
2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetic acid hydrobromide,
EN300-04976,
AC1Q23DT,
CTK8F2439,
MFCD08448140,
NE60884,
2-(2-methyl-4-p-tolylthiazol-5-yl)acetic acid hydrobromide,
|
| Complexity | 277 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 326.993g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 328.224g/mol |
| Monoisotopic Mass | 326.993g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 78.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number