| CAS Number | 1020035-36-2 |
| Catalog Number | AG019MZC |
| Chemical Name | 3-chloro-4-cyclopropyl-5-phenyl-4H-1,2,4-triazole |
| IUPAC Name | 3-chloro-4-cyclopropyl-5-phenyl-1,2,4-triazole |
| InChI | InChI=1S/C11H10ClN3/c12-11-14-13-10(15(11)9-6-7-9)8-4-2-1-3-5-8/h1-5,9H,6-7H2 |
| InChI Key | GDXCJGLPQJTZMQ-UHFFFAOYSA-N |
| MDL Number | MFCD09995819 |
| Molecular Formula | C11H10ClN3 |
| Molecular Weight | 219.6702 |
| SMILES | ClC1N(C2CC2)C(C2=CC=CC=C2)=NN=1 |
| Synonyms | 3-chloro-4-cyclopropyl-5-phenyl-4H-1,2,4-triazole,
1020035-36-2,
AC1Q3KXL,
CTK6H4349,
ZINC32627395,
AKOS009321489,
MCULE-1739519257,
NE28985,
NCGC00333009-01,
EN300-38998,
AB01170023-03,
Z394693528,
|
| Complexity | 226 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 219.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 219.672g/mol |
| Monoisotopic Mass | 219.056g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 30.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number