| CAS Number | 149968-28-5 |
| Catalog Number | AG007GPR(AGN-PC-00G6RF) |
| Chemical Name | 1H-Imidazole-4-carboxylic acid, 2-butyl-5-chloro- |
| IUPAC Name | 2-butyl-5-chloro-1H-imidazole-4-carboxylic acid |
| InChI | InChI=1S/C8H11ClN2O2/c1-2-3-4-5-10-6(8(12)13)7(9)11-5/h2-4H2,1H3,(H,10,11)(H,12,13) |
| InChI Key | FETCESOEGZHHTR-UHFFFAOYSA-N |
| MDL Number | MFCD28396255 |
| Molecular Formula | C8H11ClN2O2 |
| Molecular Weight | 202.6381 |
| SMILES | O=C(C1=C(Cl)NC(CCCC)=N1)O |
| Synonyms | 149968-28-5,
2-butyl-4-chloro-1H-imidazole-5-carboxylic acid,
2-butyl-5-chloro-1H-imidazole-4-carboxylic Acid,
1H-Imidazole-4-carboxylic acid, 2-butyl-5-chloro-,
ACMC-20n5uz,
SCHEMBL3038066,
CTK0E8620,
DTXSID80472680,
FETCESOEGZHHTR-UHFFFAOYSA-N,
MFCD28396255,
ZINC36437249,
AKOS000278517,
CS-W000493,
AS-48410,
FT-0748446,
2-butyl-4-chloro-imidazole 5-carboxylic acid,
CID11788921,
|
| Complexity | 189 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 202.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 202.638g/mol |
| Monoisotopic Mass | 202.051g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 66A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number