| CAS Number | 1375474-46-6 |
| Catalog Number | AG019TCH |
| Chemical Name | 3-(5-methyl-1H-1,2,4-triazol-3-yl)benzoic acid hydrochloride |
| IUPAC Name | 3-(5-methyl-1H-1,2,4-triazol-3-yl)benzoic acid;hydrochloride |
| InChI | InChI=1S/C10H9N3O2.ClH/c1-6-11-9(13-12-6)7-3-2-4-8(5-7)10(14)15;/h2-5H,1H3,(H,14,15)(H,11,12,13);1H |
| InChI Key | UEOBCVMGCWHPAP-UHFFFAOYSA-N |
| MDL Number | MFCD21602556 |
| Molecular Formula | C10H10ClN3O2 |
| Molecular Weight | 239.6583 |
| SMILES | Cl.CC1NN=C(C2=CC(C(O)=O)=CC=C2)N=1 |
| Synonyms | 3-(5-methyl-1H-1,2,4-triazol-3-yl)benzoic acid hydrochloride,
1375474-46-6,
AKOS030716324,
MCULE-5787429019,
NE42179,
Z1702888504,
|
| Complexity | 247 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 239.046g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 239.659g/mol |
| Monoisotopic Mass | 239.046g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 78.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number