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Home Nitriles 2-(1-methyl-1H-1,2,4-triazol-5-yl)acetonitrile dihydrochloride

2-(1-methyl-1H-1,2,4-triazol-5-yl)acetonitrile dihydrochloride

CAS No.:
2138419-85-7
Catalog Number:
AG01EJQU
Molecular Formula:
C5H8Cl2N4
Molecular Weight:
195.0498
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Product Description
Catalog Number:
AG01EJQU
Chemical Name:
2-(1-methyl-1H-1,2,4-triazol-5-yl)acetonitrile dihydrochloride
CAS Number:
2138419-85-7
Molecular Formula:
C5H8Cl2N4
Molecular Weight:
195.0498
MDL Number:
MFCD31558639
IUPAC Name:
2-(2-methyl-1,2,4-triazol-3-yl)acetonitrile;dihydrochloride
InChI:
InChI=1S/C5H6N4.2ClH/c1-9-5(2-3-6)7-4-8-9;;/h4H,2H2,1H3;2*1H
InChI Key:
ZPLJMSMJPHVVQG-UHFFFAOYSA-N
SMILES:
N#CCc1ncnn1C.Cl.Cl
Properties
Complexity:
135  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.013g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
195.047g/mol
Monoisotopic Mass:
194.013g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties