2-(1,2,4-Triazol-1-yl)aniline hydrochloride - CAS 39876-86-3
Catalog: |
BB052553 |
Product Name: |
2-(1,2,4-Triazol-1-yl)aniline hydrochloride |
CAS: |
39876-86-3 |
Synonyms: |
[2-(1H-1,2,4-Triazol-1-yl)phenyl]aminehydrochloride |
IUPAC Name: | 2-(1,2,4-triazol-1-yl)aniline;hydrochloride |
Molecular Weight: | 196.64 |
Molecular Formula: | C8H9ClN4 |
Canonical SMILES: | C1=CC=C(C(=C1)N)N2C=NC=N2.Cl |
InChI: | InChI=1S/C8H8N4.ClH/c9-7-3-1-2-4-8(7)12-6-10-5-11-12;/h1-6H,9H2;1H |
InChI Key: | MLEAPHGPZASKFV-UHFFFAOYSA-N |
Complexity: | 150 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 196.051574 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 196.051574 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 56.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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