| CAS Number | 834885-05-1 |
| Catalog Number | AG003Q2Z(AGN-PC-0WBOGV) |
| Chemical Name | Ethyl 2-amino-4-(4-bromophenyl)thiazole-5-carboxylate |
| IUPAC Name | ethyl 2-amino-4-(4-bromophenyl)-1,3-thiazole-5-carboxylate |
| InChI | InChI=1S/C12H11BrN2O2S/c1-2-17-11(16)10-9(15-12(14)18-10)7-3-5-8(13)6-4-7/h3-6H,2H2,1H3,(H2,14,15) |
| InChI Key | HZNNHEOEYQXAAE-UHFFFAOYSA-N |
| MDL Number | MFCD00276993 |
| Molecular Formula | C12H11BrN2O2S |
| Molecular Weight | 327.1969 |
| SMILES | CCOC(C1=C(C2=CC=C(Br)C=C2)N=C(N)S1)=O |
| Synonyms | Ethyl 2-amino-4-(4-bromophenyl)thiazole-5-carboxylate,
834885-05-1,
ETHYL 2-AMINO-4-(4-BROMOPHENYL)-1,3-THIAZOLE-5-CARBOXYLATE,
ACMC-20al1b,
SCHEMBL1417293,
CTK5F0754,
DTXSID90584667,
6680AH,
MFCD06850299,
ZINC12957229,
AKOS017343350,
RT-012547,
A-7495,
EN300-244208,
Ethyl 2-amino-4-(4-bromophenyl)thiazole-5-carboxylate, 90%,
2-Amino-4-(4-bromophenyl)-thiazol-5-ylcarboxylic acid ethylester,
C12H11BrN2O2S,
ETHYL2-AMINO-4- THIAZOLE-5-CARBOXYLATE,
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| Complexity | 298 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 325.972g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 327.196g/mol |
| Monoisotopic Mass | 325.972g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 93.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H319
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Packing Group
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Precautionary statements
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P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number