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Home > Fluorides > 162100-55-2
162100-55-2 | 1H-Indole, 2,3-dihydro-5-(trifluoromethyl)-
CAS No: 162100-55-2 Catalog No: AG001SQW MDL No:MFCD03095322
Product Description
Catalog Number:
AG001SQW
Chemical Name:
1H-Indole, 2,3-dihydro-5-(trifluoromethyl)-
CAS Number:
162100-55-2
Molecular Formula:
C9H8F3N
Molecular Weight:
187.1617
MDL Number:
MFCD03095322
IUPAC Name:
5-(trifluoromethyl)-2,3-dihydro-1H-indole
InChI:
InChI=1S/C9H8F3N/c10-9(11,12)7-1-2-8-6(5-7)3-4-13-8/h1-2,5,13H,3-4H2
InChI Key:
QUMDFCREMBCVGP-UHFFFAOYSA-N
SMILES:
FC(c1ccc2c(c1)CCN2)(F)F
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.061g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
187.165g/mol
Monoisotopic Mass:
187.061g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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