Home Halogens 5-(chloromethyl)-1-(2,2-difluoroethyl)-1H-1,2,4-triazole hydrochloride

5-(chloromethyl)-1-(2,2-difluoroethyl)-1H-1,2,4-triazole hydrochloride

CAS No.:
1803609-83-7
Catalog Number:
AG01BFMJ
Molecular Formula:
C5H7Cl2F2N3
Molecular Weight:
218.0320
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Product Description
Catalog Number:
AG01BFMJ
Chemical Name:
5-(chloromethyl)-1-(2,2-difluoroethyl)-1H-1,2,4-triazole hydrochloride
CAS Number:
1803609-83-7
Molecular Formula:
C5H7Cl2F2N3
Molecular Weight:
218.0320
MDL Number:
MFCD28118652
IUPAC Name:
5-(chloromethyl)-1-(2,2-difluoroethyl)-1,2,4-triazole;hydrochloride
InChI:
InChI=1S/C5H6ClF2N3.ClH/c6-1-5-9-3-10-11(5)2-4(7)8;/h3-4H,1-2H2;1H
InChI Key:
IBJPKKYGBVEWCA-UHFFFAOYSA-N
SMILES:
ClCc1ncnn1CC(F)F.Cl
Properties
Complexity:
124  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.999g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
218.029g/mol
Monoisotopic Mass:
216.999g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
30.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties