| CAS Number | 1341988-51-9 |
| Catalog Number | AG009X0C(AGN-PC-0WA8FI) |
| Chemical Name | 3-Chloro-4-(imidazol-1-yl)benzonitrile |
| IUPAC Name | 3-chloro-4-imidazol-1-ylbenzonitrile |
| InChI | InChI=1S/C10H6ClN3/c11-9-5-8(6-12)1-2-10(9)14-4-3-13-7-14/h1-5,7H |
| InChI Key | QPTPQRWIILISSY-UHFFFAOYSA-N |
| MDL Number | MFCD17291394 |
| Molecular Formula | C10H6ClN3 |
| Molecular Weight | 203.6277 |
| SMILES | N#Cc1ccc(c(c1)Cl)n1cncc1 |
| Synonyms | 3-Chloro-4-(imidazol-1-yl)benzonitrile,
1341988-51-9,
KM3761,
ZINC62793871,
AKOS012387270,
Z9751,
3-CHLORO-4-(1H-IMIDAZOL-1-YL)BENZONITRILE,
C10H6ClN3,
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| Complexity | 247 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 203.025g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 203.629g/mol |
| Monoisotopic Mass | 203.025g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 41.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
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Certificate of Analysis
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