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Home > Fluorides > 1000341-27-4
1000341-27-4 | 1H-Indazole, 3-iodo-6-(trifluoromethyl)-
CAS No: 1000341-27-4 Catalog No: AG0000H0 MDL No:MFCD09263230
Product Description
Catalog Number:
AG0000H0
Chemical Name:
1H-Indazole, 3-iodo-6-(trifluoromethyl)-
CAS Number:
1000341-27-4
Molecular Formula:
C8H4F3IN2
Molecular Weight:
312.0304
MDL Number:
MFCD09263230
IUPAC Name:
3-iodo-6-(trifluoromethyl)-2H-indazole
InChI:
InChI=1S/C8H4F3IN2/c9-8(10,11)4-1-2-5-6(3-4)13-14-7(5)12/h1-3H,(H,13,14)
InChI Key:
ARPPCBLAYCXFHA-UHFFFAOYSA-N
SMILES:
Ic1n[nH]c2c1ccc(c2)C(F)(F)F
Properties
Complexity:
221
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.937g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
312.034g/mol
Monoisotopic Mass:
311.937g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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