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Home > Bromides > 1167056-26-9
1167056-26-9 | 1H-Indazole, 3-bromo-6-(1,1-dimethylethyl)-
CAS No: 1167056-26-9 Catalog No: AG000D3G MDL No:
Product Description
Catalog Number:
AG000D3G
Chemical Name:
1H-Indazole, 3-bromo-6-(1,1-dimethylethyl)-
CAS Number:
1167056-26-9
Molecular Formula:
C11H13BrN2
Molecular Weight:
253.1383
IUPAC Name:
3-bromo-6-tert-butyl-2H-indazole
InChI:
InChI=1S/C11H13BrN2/c1-11(2,3)7-4-5-8-9(6-7)13-14-10(8)12/h4-6H,1-3H3,(H,13,14)
InChI Key:
FYMJKYBHEFGDSH-UHFFFAOYSA-N
SMILES:
Brc1n[nH]c2c1ccc(c2)C(C)(C)C
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.026g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
253.143g/mol
Monoisotopic Mass:
252.026g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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