| CAS Number | 1156753-55-7 |
| Catalog Number | AG01A4B2(AGN-PC-0WO1OU) |
| Chemical Name | 5-chloro-1-ethyl-1H-1,3-benzodiazol-2-amine |
| IUPAC Name | 5-chloro-1-ethylbenzimidazol-2-amine |
| InChI | InChI=1S/C9H10ClN3/c1-2-13-8-4-3-6(10)5-7(8)12-9(13)11/h3-5H,2H2,1H3,(H2,11,12) |
| InChI Key | IENZKHQOAZUDKM-UHFFFAOYSA-N |
| MDL Number | MFCD12111035 |
| Molecular Formula | C9H10ClN3 |
| Molecular Weight | 195.6488 |
| SMILES | CCN1C2=C(C=C(C=C2)Cl)N=C1N |
| Synonyms | 5-chloro-1-ethyl-1H-1,3-benzodiazol-2-amine,
1156753-55-7,
2-Amino-5-chloro-1-ethyl-1H-benzimidazole,
MFCD12111035,
ZINC36889665,
AKOS009850611,
NE17959,
SY148795,
MFCD12111035 (95%),
5-Chloro-1-ethyl-1H-benzimidazol-2-amine,
|
| Complexity | 188 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 195.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 195.65g/mol |
| Monoisotopic Mass | 195.056g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 43.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number