| CAS Number | 1260672-33-0 |
| Catalog Number | AG000R0U(AGN-PC-0CCLS8) |
| Chemical Name | 1H-Imidazole-2-carboxylic acid, 4-bromo-1-methyl-, ethyl ester |
| IUPAC Name | ethyl 4-bromo-1-methylimidazole-2-carboxylate |
| InChI | InChI=1S/C7H9BrN2O2/c1-3-12-7(11)6-9-5(8)4-10(6)2/h4H,3H2,1-2H3 |
| InChI Key | CWCKOQOIVGTJNM-UHFFFAOYSA-N |
| MDL Number | MFCD18250060 |
| Molecular Formula | C7H9BrN2O2 |
| Molecular Weight | 233.0626 |
| SMILES | O=C(C1=NC(Br)=CN1C)OCC |
| Synonyms | ETHYL 4-BROMO-1-METHYL-1H-IMIDAZOLE-2-CARBOXYLATE,
1260672-33-0,
SCHEMBL12582170,
ZINC95642646,
AKOS030527614,
AB72251,
CS-0060046,
FT-0767997,
1H-Imidazole-2-carboxylic acid, 4-bromo-1-methyl-, ethyl ester,
|
| Complexity | 177 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 231.985g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 233.065g/mol |
| Monoisotopic Mass | 231.985g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 44.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
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Hazard Class
|
6.1
|
|
Hazard statements
|
H301-H311-H331
|
|
Packing Group
|
Ⅲ
|
|
Precautionary statements
|
P261-P264-P270-P271-P280-P302+P352-P304+P340-P310-P330-P361-P403+P233-P405-P501
|
|
UN Code
|
UN 2811
|
Certificate of Analysis
Lot Number