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144235-64-3 | Benzenamine, 4-(1H-1,2,4-triazol-1-ylmethyl)-, hydrochloride (1:1)
CAS No: 144235-64-3 Catalog No: AG001J56 MDL No:
Product Description
Catalog Number:
AG001J56
Chemical Name:
Benzenamine, 4-(1H-1,2,4-triazol-1-ylmethyl)-, hydrochloride (1:1)
CAS Number:
144235-64-3
Molecular Formula:
C9H11ClN4
Molecular Weight:
210.6634
IUPAC Name:
4-(1,2,4-triazol-1-ylmethyl)aniline;hydrochloride
InChI:
InChI=1S/C9H10N4.ClH/c10-9-3-1-8(2-4-9)5-13-7-11-6-12-13;/h1-4,6-7H,5,10H2;1H
InChI Key:
FEDYLAMMQSHIOY-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1)Cn1ncnc1.Cl
Properties
Complexity:
154
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.067g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
210.665g/mol
Monoisotopic Mass:
210.067g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
56.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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