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Home > Fluorides > 116013-39-9
116013-39-9 | 1H-Indole-3-methanol, 2-(trifluoromethyl)-
CAS No: 116013-39-9 Catalog No: AG000BE2 MDL No:
Product Description
Catalog Number:
AG000BE2
Chemical Name:
1H-Indole-3-methanol, 2-(trifluoromethyl)-
CAS Number:
116013-39-9
Molecular Formula:
C10H8F3NO
Molecular Weight:
215.1718
IUPAC Name:
[2-(trifluoromethyl)-1H-indol-3-yl]methanol
InChI:
InChI=1S/C10H8F3NO/c11-10(12,13)9-7(5-15)6-3-1-2-4-8(6)14-9/h1-4,14-15H,5H2
InChI Key:
XKSQZCFVTJKNNU-UHFFFAOYSA-N
SMILES:
OCc1c2ccccc2[nH]c1C(F)(F)F
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.056g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
215.175g/mol
Monoisotopic Mass:
215.056g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
36A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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