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820236-84-8 | 2H-Tetrazole, 5-(2-bromo-6-fluorophenyl)-2-methyl-
CAS No: 820236-84-8 Catalog No: AG0053CD MDL No:
Product Description
Catalog Number:
AG0053CD
Chemical Name:
2H-Tetrazole, 5-(2-bromo-6-fluorophenyl)-2-methyl-
CAS Number:
820236-84-8
Molecular Formula:
C8H6BrFN4
Molecular Weight:
257.0624
IUPAC Name:
5-(2-bromo-6-fluorophenyl)-2-methyltetrazole
InChI:
InChI=1S/C8H6BrFN4/c1-14-12-8(11-13-14)7-5(9)3-2-4-6(7)10/h2-4H,1H3
InChI Key:
QULQEQBKGWEYSD-UHFFFAOYSA-N
SMILES:
Cn1nnc(n1)c1c(F)cccc1Br
Properties
Complexity:
206
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.976g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
257.066g/mol
Monoisotopic Mass:
255.976g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
43.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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