Home Halogens 4-bromo-1-tert-butyl-1H-1,2,3-triazole

4-bromo-1-tert-butyl-1H-1,2,3-triazole

CAS No.:
1260666-19-0
Catalog Number:
AG01DV54
Molecular Formula:
C6H10BrN3
Molecular Weight:
204.0677
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Product Description
Catalog Number:
AG01DV54
Chemical Name:
4-bromo-1-tert-butyl-1H-1,2,3-triazole
CAS Number:
1260666-19-0
Molecular Formula:
C6H10BrN3
Molecular Weight:
204.0677
MDL Number:
MFCD18250435
IUPAC Name:
4-bromo-1-tert-butyltriazole
InChI:
InChI=1S/C6H10BrN3/c1-6(2,3)10-4-5(7)8-9-10/h4H,1-3H3
InChI Key:
QRFWUDDDVIYMEQ-UHFFFAOYSA-N
SMILES:
CC(n1nnc(c1)Br)(C)C
Properties
Complexity:
121  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.006g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.071g/mol
Monoisotopic Mass:
203.006g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
30.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties