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

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

CAS No.:
75470-92-7
Catalog Number:
AG01A70I
Molecular Formula:
C6H11ClN4
Molecular Weight:
174.6313
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Product Description
Catalog Number:
AG01A70I
Chemical Name:
1-tert-butyl-5-(chloromethyl)-1H-1,2,3,4-tetrazole
CAS Number:
75470-92-7
Molecular Formula:
C6H11ClN4
Molecular Weight:
174.6313
MDL Number:
MFCD16863232
IUPAC Name:
1-tert-butyl-5-(chloromethyl)tetrazole
InChI:
InChI=1S/C6H11ClN4/c1-6(2,3)11-5(4-7)8-9-10-11/h4H2,1-3H3
InChI Key:
KJLGFPOMWIGSAA-UHFFFAOYSA-N
SMILES:
ClCc1nnnn1C(C)(C)C
Properties
Complexity:
133  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.067g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
174.632g/mol
Monoisotopic Mass:
174.067g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
43.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties