| CAS Number | 1427379-09-6 |
| Catalog Number | AG01A43D |
| Chemical Name | 3-(2-cyclopropyl-1H-1,3-benzodiazol-1-yl)propanoic acid hydrochloride |
| IUPAC Name | 3-(2-cyclopropylbenzimidazol-1-yl)propanoic acid;hydrochloride |
| InChI | InChI=1S/C13H14N2O2.ClH/c16-12(17)7-8-15-11-4-2-1-3-10(11)14-13(15)9-5-6-9;/h1-4,9H,5-8H2,(H,16,17);1H |
| InChI Key | ZXQCMITYYPKUCH-UHFFFAOYSA-N |
| MDL Number | MFCD23144219 |
| Molecular Formula | C13H15ClN2O2 |
| Molecular Weight | 266.7234 |
| SMILES | Cl.OC(CCN1C2=C(C=CC=C2)N=C1C1CC1)=O |
| Synonyms | 3-(2-cyclopropyl-1H-1,3-benzodiazol-1-yl)propanoic acid hydrochloride,
1427379-09-6,
MCULE-9691616596,
NE49336,
Z1525652654,
|
| Complexity | 304 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 266.082205g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 266.72g/mol |
| Monoisotopic Mass | 266.082205g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 55.1Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number