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1167056-22-5 | 1H-Indazole, 6-(1,1-dimethylethyl)-
CAS No: 1167056-22-5 Catalog No: AG000D3K MDL No:
Product Description
Catalog Number:
AG000D3K
Chemical Name:
1H-Indazole, 6-(1,1-dimethylethyl)-
CAS Number:
1167056-22-5
Molecular Formula:
C11H14N2
Molecular Weight:
174.2423
IUPAC Name:
6-tert-butyl-1H-indazole
InChI:
InChI=1S/C11H14N2/c1-11(2,3)9-5-4-8-7-12-13-10(8)6-9/h4-7H,1-3H3,(H,12,13)
InChI Key:
USDLOQNSGBTYCH-UHFFFAOYSA-N
SMILES:
CC(c1ccc2c(c1)[nH]nc2)(C)C
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.116g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
174.247g/mol
Monoisotopic Mass:
174.116g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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