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1167056-24-7 | 1H-Indazole, 6-(1,1-dimethylethyl)-3-iodo-
CAS No: 1167056-24-7 Catalog No: AG000D3I MDL No:
Product Description
Catalog Number:
AG000D3I
Chemical Name:
1H-Indazole, 6-(1,1-dimethylethyl)-3-iodo-
CAS Number:
1167056-24-7
Molecular Formula:
C11H13IN2
Molecular Weight:
300.1388
IUPAC Name:
6-tert-butyl-3-iodo-2H-indazole
InChI:
InChI=1S/C11H13IN2/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:
JUXHCNDTBZFDCR-UHFFFAOYSA-N
SMILES:
Ic1n[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:
300.012g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
300.143g/mol
Monoisotopic Mass:
300.012g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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