| CAS Number | 554404-48-7 |
| Catalog Number | AG019GVQ(AGN-PC-0KFOFP) |
| Chemical Name | 2-(1H-1,3-benzodiazol-2-yl)-1-(3-chlorophenyl)ethan-1-one |
| IUPAC Name | 2-(1H-benzimidazol-2-yl)-1-(3-chlorophenyl)ethanone |
| InChI | InChI=1S/C15H11ClN2O/c16-11-5-3-4-10(8-11)14(19)9-15-17-12-6-1-2-7-13(12)18-15/h1-8H,9H2,(H,17,18) |
| InChI Key | ZSQKWFLSMUVVNC-UHFFFAOYSA-N |
| MDL Number | MFCD03965315 |
| Molecular Formula | C15H11ClN2O |
| Molecular Weight | 270.7136 |
| SMILES | ClC1=CC(C(CC2NC3=C(C=CC=C3)N=2)=O)=CC=C1 |
| Synonyms | 2-(1H-1,3-benzodiazol-2-yl)-1-(3-chlorophenyl)ethan-1-one,
554404-48-7,
2-(1H-Benzoimidazol-2-yl)-1-(3-chloro-phenyl)-ethanone,
AC1M5VGM,
AC1Q3I0B,
CTK6H2318,
ZINC3269849,
AKOS000115171,
NE26718,
EN300-01438,
2-(1H-benzimidazol-2-yl)-1-(3-chlorophenyl)ethanone,
ZINC03269849,
CID2386173,
|
| Complexity | 336 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 270.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 270.716g/mol |
| Monoisotopic Mass | 270.056g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 45.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number