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Home > Fluorides > 860007-80-3
860007-80-3 | 1H-INDAZOLE, 4-METHYL-1-[4-(TRIFLUOROMETHYL)PHENYL]-
CAS No: 860007-80-3 Catalog No: AG004VN5 MDL No:
Product Description
Catalog Number:
AG004VN5
Chemical Name:
1H-INDAZOLE, 4-METHYL-1-[4-(TRIFLUOROMETHYL)PHENYL]-
CAS Number:
860007-80-3
Molecular Formula:
C15H11F3N2
Molecular Weight:
276.2564
IUPAC Name:
4-methyl-1-[4-(trifluoromethyl)phenyl]indazole
InChI:
InChI=1S/C15H11F3N2/c1-10-3-2-4-14-13(10)9-19-20(14)12-7-5-11(6-8-12)15(16,17)18/h2-9H,1H3
InChI Key:
KRMJWFKYWGFUME-UHFFFAOYSA-N
SMILES:
Cc1cccc2c1cnn2c1ccc(cc1)C(F)(F)F
Properties
Complexity:
337
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.087g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
276.262g/mol
Monoisotopic Mass:
276.087g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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