Home Other Building Blocks [3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]methanamine hydrochloride

[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]methanamine hydrochloride

CAS No.:
1258640-50-4
Catalog Number:
AG01AB31
Molecular Formula:
C9H10ClFN4
Molecular Weight:
228.6539
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Product Description
Catalog Number:
AG01AB31
Chemical Name:
[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]methanamine hydrochloride
CAS Number:
1258640-50-4
Molecular Formula:
C9H10ClFN4
Molecular Weight:
228.6539
MDL Number:
MFCD17977044
IUPAC Name:
[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]methanamine;hydrochloride
InChI:
InChI=1S/C9H9FN4.ClH/c10-7-3-1-6(2-4-7)9-12-8(5-11)13-14-9;/h1-4H,5,11H2,(H,12,13,14);1H
InChI Key:
HWMYFTYUGFWJJO-UHFFFAOYSA-N
SMILES:
NCc1[nH]nc(n1)c1ccc(cc1)F.Cl
Properties
Complexity:
182  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.058g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
228.655g/mol
Monoisotopic Mass:
228.058g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
67.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties