Home Other Building Blocks 3-(1H-1,2,3-triazol-4-yl)aniline dihydrochloride

3-(1H-1,2,3-triazol-4-yl)aniline dihydrochloride

CAS No.:
1461706-10-4
Catalog Number:
AG01A65U
Molecular Formula:
C8H10Cl2N4
Molecular Weight:
233.0978
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Product Description
Catalog Number:
AG01A65U
Chemical Name:
3-(1H-1,2,3-triazol-4-yl)aniline dihydrochloride
CAS Number:
1461706-10-4
Molecular Formula:
C8H10Cl2N4
Molecular Weight:
233.0978
MDL Number:
MFCD25970294
IUPAC Name:
3-(2H-triazol-4-yl)aniline;dihydrochloride
InChI:
InChI=1S/C8H8N4.2ClH/c9-7-3-1-2-6(4-7)8-5-10-12-11-8;;/h1-5H,9H2,(H,10,11,12);2*1H
InChI Key:
AODYOQRLJMHSMN-UHFFFAOYSA-N
SMILES:
Nc1cccc(c1)c1c[nH]nn1.Cl.Cl
Properties
Complexity:
150  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.028g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
233.096g/mol
Monoisotopic Mass:
232.028g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
67.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties