| CAS Number | 1221725-14-9 |
| Catalog Number | AG019Y0K |
| Chemical Name | 2-(2-cyclopropyl-1H-1,3-benzodiazol-1-yl)acetic acid hydrochloride |
| IUPAC Name | 2-(2-cyclopropylbenzimidazol-1-yl)acetic acid;hydrochloride |
| InChI | InChI=1S/C12H12N2O2.ClH/c15-11(16)7-14-10-4-2-1-3-9(10)13-12(14)8-5-6-8;/h1-4,8H,5-7H2,(H,15,16);1H |
| InChI Key | ZTPLPNDISQYZSX-UHFFFAOYSA-N |
| MDL Number | MFCD22565872 |
| Molecular Formula | C12H13ClN2O2 |
| Molecular Weight | 252.6968 |
| SMILES | Cl.OC(CN1C2=C(C=CC=C2)N=C1C1CC1)=O |
| Synonyms | 2-(2-cyclopropyl-1H-1,3-benzodiazol-1-yl)acetic acid hydrochloride,
1221725-14-9,
AC1Q3F0F,
CTK7J4910,
MCULE-9293863431,
NE50110,
EN300-56562,
Z234895373,
|
| Complexity | 291 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 252.067g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 252.698g/mol |
| Monoisotopic Mass | 252.067g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number