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

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

CAS No.:
1427379-56-3
Catalog Number:
AG01A425
Molecular Formula:
C6H9Cl2N3
Molecular Weight:
194.0618
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Product Description
Catalog Number:
AG01A425
Chemical Name:
5-(chloromethyl)-3-cyclopropyl-1H-1,2,4-triazole hydrochloride
CAS Number:
1427379-56-3
Molecular Formula:
C6H9Cl2N3
Molecular Weight:
194.0618
MDL Number:
MFCD23144198
IUPAC Name:
5-(chloromethyl)-3-cyclopropyl-1H-1,2,4-triazole;hydrochloride
InChI:
InChI=1S/C6H8ClN3.ClH/c7-3-5-8-6(10-9-5)4-1-2-4;/h4H,1-3H2,(H,8,9,10);1H
InChI Key:
LAHWRPBDPKWDNC-UHFFFAOYSA-N
SMILES:
ClCc1[nH]nc(n1)C1CC1.Cl
Properties
Complexity:
126  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.017g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
194.059g/mol
Monoisotopic Mass:
193.017g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties