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

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

CAS No.:
1989672-15-2
Catalog Number:
AG01B6E9
Molecular Formula:
C7H13BrN4
Molecular Weight:
233.1089
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Product Description
Catalog Number:
AG01B6E9
Chemical Name:
5-(2-bromoethyl)-2-tert-butyl-2H-1,2,3,4-tetrazole
CAS Number:
1989672-15-2
Molecular Formula:
C7H13BrN4
Molecular Weight:
233.1089
MDL Number:
MFCD30342812
IUPAC Name:
5-(2-bromoethyl)-2-tert-butyltetrazole
InChI:
InChI=1S/C7H13BrN4/c1-7(2,3)12-10-6(4-5-8)9-11-12/h4-5H2,1-3H3
InChI Key:
BHVQASIRJPOEQK-UHFFFAOYSA-N
SMILES:
BrCCc1nnn(n1)C(C)(C)C
Properties
Complexity:
145  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.032g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
233.113g/mol
Monoisotopic Mass:
232.032g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
43.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties