Home Halogens 3-(chloromethyl)-5-(4-chlorophenyl)-4-methyl-4H-1,2,4-triazole hydrochloride

3-(chloromethyl)-5-(4-chlorophenyl)-4-methyl-4H-1,2,4-triazole hydrochloride

CAS No.:
1803600-48-7
Catalog Number:
AG01ACTO
Molecular Formula:
C10H10Cl3N3
Molecular Weight:
278.5655
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Product Description
Catalog Number:
AG01ACTO
Chemical Name:
3-(chloromethyl)-5-(4-chlorophenyl)-4-methyl-4H-1,2,4-triazole hydrochloride
CAS Number:
1803600-48-7
Molecular Formula:
C10H10Cl3N3
Molecular Weight:
278.5655
MDL Number:
MFCD26936122
IUPAC Name:
3-(chloromethyl)-5-(4-chlorophenyl)-4-methyl-1,2,4-triazole;hydrochloride
InChI:
InChI=1S/C10H9Cl2N3.ClH/c1-15-9(6-11)13-14-10(15)7-2-4-8(12)5-3-7;/h2-5H,6H2,1H3;1H
InChI Key:
UQHMCZXLQOEGLB-UHFFFAOYSA-N
SMILES:
ClCc1nnc(n1C)c1ccc(cc1)Cl.Cl
Properties
Complexity:
207  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.994g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
278.561g/mol
Monoisotopic Mass:
276.994g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
30.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties