Home Halogens 5-(1-chloroethyl)-3-ethyl-1H-1,2,4-triazole hydrochloride

5-(1-chloroethyl)-3-ethyl-1H-1,2,4-triazole hydrochloride

CAS No.:
1909319-06-7
Catalog Number:
AG01B1ZT
Molecular Formula:
C6H11Cl2N3
Molecular Weight:
196.0776
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Product Description
Catalog Number:
AG01B1ZT
Chemical Name:
5-(1-chloroethyl)-3-ethyl-1H-1,2,4-triazole hydrochloride
CAS Number:
1909319-06-7
Molecular Formula:
C6H11Cl2N3
Molecular Weight:
196.0776
MDL Number:
MFCD29907259
IUPAC Name:
3-(1-chloroethyl)-5-ethyl-1H-1,2,4-triazole;hydrochloride
InChI:
InChI=1S/C6H10ClN3.ClH/c1-3-5-8-6(4(2)7)10-9-5;/h4H,3H2,1-2H3,(H,8,9,10);1H
InChI Key:
KDGIWBMDQSSJSM-UHFFFAOYSA-N
SMILES:
CCc1n[nH]c(n1)C(Cl)C.Cl
Properties
Complexity:
109  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.033g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
196.075g/mol
Monoisotopic Mass:
195.033g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties