| CAS Number | 1341039-29-9 |
| Catalog Number | AG019F0F(AGN-PC-0WG4AQ) |
| Chemical Name | 1-(4-(Chloromethyl)phenyl)-1H-1,2,3-triazole |
| IUPAC Name | 1-[4-(chloromethyl)phenyl]triazole |
| InChI | InChI=1S/C9H8ClN3/c10-7-8-1-3-9(4-2-8)13-6-5-11-12-13/h1-6H,7H2 |
| InChI Key | KFNQAYDGVQSDFT-UHFFFAOYSA-N |
| MDL Number | MFCD30185155 |
| Molecular Formula | C9H8ClN3 |
| Molecular Weight | 193.6329 |
| SMILES | ClCC1=CC=C(N2N=NC=C2)C=C1 |
| Synonyms | 1-(4-CHLOROMETHYL-PHENYL)-1H-[1,2,3]TRIAZOLE,
1341039-29-9,
1-(4-(Chloromethyl)phenyl)-1H-1,2,3-triazole,
SCHEMBL20300553,
MFCD30185155,
AKOS027429141,
ZINC498050520,
CS-0038781,
|
| Complexity | 157 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 193.041g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 193.634g/mol |
| Monoisotopic Mass | 193.041g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 30.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
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