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189025-10-3 | 2H-Tetrazole, 2-(2-bromo-1-methylethyl)-5-methyl-
CAS No: 189025-10-3 Catalog No: AG002HPS MDL No:
Product Description
Catalog Number:
AG002HPS
Chemical Name:
2H-Tetrazole, 2-(2-bromo-1-methylethyl)-5-methyl-
CAS Number:
189025-10-3
Molecular Formula:
C5H9BrN4
Molecular Weight:
205.0558
IUPAC Name:
2-(1-bromopropan-2-yl)-5-methyltetrazole
InChI:
InChI=1S/C5H9BrN4/c1-4(3-6)10-8-5(2)7-9-10/h4H,3H2,1-2H3
InChI Key:
JVKZPVOQVJJUII-UHFFFAOYSA-N
SMILES:
BrCC(n1nnc(n1)C)C
Properties
Complexity:
110
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.001g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
205.059g/mol
Monoisotopic Mass:
204.001g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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