| CAS Number | 41886-24-2 |
| Catalog Number | AG01A8WR(AGN-PC-0WOBZG) |
| Chemical Name | 2-(4-chlorophenyl)-2H-1,2,3-triazole-4-carbaldehyde |
| IUPAC Name | 2-(4-chlorophenyl)triazole-4-carbaldehyde |
| InChI | InChI=1S/C9H6ClN3O/c10-7-1-3-9(4-2-7)13-11-5-8(6-14)12-13/h1-6H |
| InChI Key | FPZXYJQYFWKOKJ-UHFFFAOYSA-N |
| MDL Number | MFCD11169406 |
| Molecular Formula | C9H6ClN3O |
| Molecular Weight | 207.6164 |
| SMILES | ClC1=CC=C(N2N=C(C=O)C=N2)C=C1 |
| Synonyms | 41886-24-2,
2-(4-chlorophenyl)-2H-1,2,3-triazole-4-carbaldehyde,
2-(4-CHLOROPHENYL)-4-FORMYL-[1,2,3]TRIAZOLE,
SCHEMBL11691729,
MFCD11169406,
ZINC20246521,
AKOS026729933,
NE30676,
AS-37495,
|
| Complexity | 206 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 207.02g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 207.617g/mol |
| Monoisotopic Mass | 207.02g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 47.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
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Certificate of Analysis
Lot Number