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1020248-97-8 | 2H-Tetrazole, 5-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)-
CAS No: 1020248-97-8 Catalog No: AG0006CX MDL No:MFCD20502617
Product Description
Catalog Number:
AG0006CX
Chemical Name:
2H-Tetrazole, 5-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)-
CAS Number:
1020248-97-8
Molecular Formula:
C6H7BrN6
Molecular Weight:
243.0640
MDL Number:
MFCD20502617
IUPAC Name:
5-(4-bromo-3,5-dimethylpyrazol-1-yl)-2H-tetrazole
InChI:
InChI=1S/C6H7BrN6/c1-3-5(7)4(2)13(10-3)6-8-11-12-9-6/h1-2H3,(H,8,9,11,12)
InChI Key:
BQDCYJGULMDRIX-UHFFFAOYSA-N
SMILES:
Cc1nn(c(c1Br)C)c1n[nH]nn1
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.992g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
243.068g/mol
Monoisotopic Mass:
241.992g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
72.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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