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1000342-39-1 | 1H-Indazole, 3,6-dibromo-5-methyl-
CAS No: 1000342-39-1 Catalog No: AG0000IG MDL No:
Product Description
Catalog Number:
AG0000IG
Chemical Name:
1H-Indazole, 3,6-dibromo-5-methyl-
CAS Number:
1000342-39-1
Molecular Formula:
C8H6Br2N2
Molecular Weight:
289.9546
IUPAC Name:
3,6-dibromo-5-methyl-2H-indazole
InChI:
InChI=1S/C8H6Br2N2/c1-4-2-5-7(3-6(4)9)11-12-8(5)10/h2-3H,1H3,(H,11,12)
InChI Key:
WQBPPIHTEAQRJE-UHFFFAOYSA-N
SMILES:
Cc1cc2c(Br)n[nH]c2cc1Br
Properties
Complexity:
176
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.888g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
289.958g/mol
Monoisotopic Mass:
287.89g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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