| CAS Number | 91669-21-5 |
| Catalog Number | AG01BD4W(AGN-PC-00LXLN) |
| Chemical Name | 3-Chloro-1,2,4-benzotriazine |
| IUPAC Name | 3-chloro-1,2,4-benzotriazine |
| InChI | InChI=1S/C7H4ClN3/c8-7-9-5-3-1-2-4-6(5)10-11-7/h1-4H |
| InChI Key | GGZDOSFUDVOCBS-UHFFFAOYSA-N |
| MDL Number | MFCD11111722 |
| Molecular Formula | C7H4ClN3 |
| Molecular Weight | 165.5798 |
| SMILES | ClC1=NC2=C(C=CC=C2)N=N1 |
| Synonyms | 3-chloro-1,2,4-benzotriazine,
91669-21-5,
1,2,4-Benzotriazine, 3-chloro-,
ACMC-20lusb,
SCHEMBL5316517,
CTK3I0598,
DTXSID90535518,
ZINC39476599,
AKOS006307446,
NE60849,
Z1924086810,
3-chlorobenzo[e][1,2,4]triazine,
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| Complexity | 142 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 165.009g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 165.58g/mol |
| Monoisotopic Mass | 165.009g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 38.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number