| CAS Number | 20320-17-6 |
| Catalog Number | AG00I3TK(AGN-PC-00KX6I) |
| Chemical Name | 1-(4-Bromophenyl)-1h-1,2,3-triazole |
| IUPAC Name | 1-(4-bromophenyl)triazole |
| InChI | InChI=1S/C8H6BrN3/c9-7-1-3-8(4-2-7)12-6-5-10-11-12/h1-6H |
| InChI Key | NOWNHDWVMOQQTR-UHFFFAOYSA-N |
| MDL Number | MFCD11196192 |
| Molecular Formula | C8H6BrN3 |
| Molecular Weight | 224.0573 |
| SMILES | BrC1=CC=C(C=C1)N1C=CN=N1 |
| Synonyms | 1-(4-BROMOPHENYL)-1H-1,2,3-TRIAZOLE,
20320-17-6,
SCHEMBL482167,
MFCD13189963,
ZINC39397531,
1-(4-bromophenyl)-1,2,3-triazole,
AKOS022961218,
AB69482,
AM805834,
AS-39674,
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| Complexity | 145 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 222.975g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 224.061g/mol |
| Monoisotopic Mass | 222.975g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 30.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
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Certificate of Analysis
Lot Number