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

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

CAS No.:
1803592-05-3
Catalog Number:
AG01ALVA
Molecular Formula:
C7H13Cl2N3
Molecular Weight:
210.1042
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Product Description
Catalog Number:
AG01ALVA
Chemical Name:
5-tert-butyl-3-(chloromethyl)-1H-1,2,4-triazole hydrochloride
CAS Number:
1803592-05-3
Molecular Formula:
C7H13Cl2N3
Molecular Weight:
210.1042
MDL Number:
MFCD28968266
IUPAC Name:
3-tert-butyl-5-(chloromethyl)-1H-1,2,4-triazole;hydrochloride
InChI:
InChI=1S/C7H12ClN3.ClH/c1-7(2,3)6-9-5(4-8)10-11-6;/h4H2,1-3H3,(H,9,10,11);1H
InChI Key:
YEQLIHFCCLMOIK-UHFFFAOYSA-N
SMILES:
ClCc1n[nH]c(n1)C(C)(C)C.Cl
Properties
Complexity:
132  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.049g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
210.102g/mol
Monoisotopic Mass:
209.049g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties