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1227269-23-9 | 1H-Indazole, 4-iodo-6-(1-methylethyl)-
CAS No: 1227269-23-9 Catalog No: AG000J52 MDL No:
Product Description
Catalog Number:
AG000J52
Chemical Name:
1H-Indazole, 4-iodo-6-(1-methylethyl)-
CAS Number:
1227269-23-9
Molecular Formula:
C10H11IN2
Molecular Weight:
286.1122
IUPAC Name:
4-iodo-6-propan-2-yl-1H-indazole
InChI:
InChI=1S/C10H11IN2/c1-6(2)7-3-9(11)8-5-12-13-10(8)4-7/h3-6H,1-2H3,(H,12,13)
InChI Key:
OHUIVHVZIDZKSQ-UHFFFAOYSA-N
SMILES:
CC(c1cc(I)c2c(c1)[nH]nc2)C
Properties
Complexity:
184
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.997g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
286.116g/mol
Monoisotopic Mass:
285.997g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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