| CAS Number | 1065074-63-6 |
| Catalog Number | AG007CIB(AGN-PC-0WADR3) |
| Chemical Name | Methyl 2-Amino-4-(3-Bromophenyl)Thiazole-5-Carboxylate |
| IUPAC Name | methyl 2-amino-4-(3-bromophenyl)-1,3-thiazole-5-carboxylate |
| InChI | InChI=1S/C11H9BrN2O2S/c1-16-10(15)9-8(14-11(13)17-9)6-3-2-4-7(12)5-6/h2-5H,1H3,(H2,13,14) |
| InChI Key | NXKPBFWGNXNBSI-UHFFFAOYSA-N |
| MDL Number | MFCD11053871 |
| Molecular Formula | C11H9BrN2O2S |
| Molecular Weight | 313.1704 |
| SMILES | COC(=O)c1sc(nc1c1cccc(c1)Br)N |
| Synonyms | Methyl 2-amino-4-(3-bromophenyl)thiazole-5-carboxylate,
1065074-63-6,
methyl 2-amino-4-(3-bromophenyl)-1,3-thiazole-5-carboxylate,
ACMC-2098kv,
CTK4A4589,
DTXSID70674636,
ANW-15389,
MFCD11053871,
ZINC38537131,
AKOS015854644,
RTR-001295,
AJ-95912,
AX8229469,
ST2407131,
TR-001295,
Z6883,
A-4394,
I05-740,
C11H9BrN2O2S,
METHYL2-AMINO-4-(3-BROMOPHENYL)THIAZOLE-5-CARBOXYLATE,
|
| Complexity | 293 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 311.957g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 313.169g/mol |
| Monoisotopic Mass | 311.957g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 93.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number