Home Other Building Blocks 1-(difluoromethyl)-1H-1,2,4-triazol-3-amine hydrochloride

1-(difluoromethyl)-1H-1,2,4-triazol-3-amine hydrochloride

CAS No.:
2137599-17-6
Catalog Number:
AG01EI2E
Molecular Formula:
C3H5ClF2N4
Molecular Weight:
170.5484
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Product Description
Catalog Number:
AG01EI2E
Chemical Name:
1-(difluoromethyl)-1H-1,2,4-triazol-3-amine hydrochloride
CAS Number:
2137599-17-6
Molecular Formula:
C3H5ClF2N4
Molecular Weight:
170.5484
MDL Number:
MFCD31559454
IUPAC Name:
1-(difluoromethyl)-1,2,4-triazol-3-amine;hydrochloride
InChI:
InChI=1S/C3H4F2N4.ClH/c4-2(5)9-1-7-3(6)8-9;/h1-2H,(H2,6,8);1H
InChI Key:
XIYZCYQMKOLHHZ-UHFFFAOYSA-N
SMILES:
FC(n1cnc(n1)N)F.Cl
Properties
Complexity:
97.8  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.017g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
170.548g/mol
Monoisotopic Mass:
170.017g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
56.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties