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Home > Bromides > 1782390-81-1
1782390-81-1 | 1H-Indole, 6-bromo-2-(trifluoromethyl)-
CAS No: 1782390-81-1 Catalog No: AG0025U9 MDL No:
Product Description
Catalog Number:
AG0025U9
Chemical Name:
1H-Indole, 6-bromo-2-(trifluoromethyl)-
CAS Number:
1782390-81-1
Molecular Formula:
C9H5BrF3N
Molecular Weight:
264.0419
IUPAC Name:
6-bromo-2-(trifluoromethyl)-1H-indole
InChI:
InChI=1S/C9H5BrF3N/c10-6-2-1-5-3-8(9(11,12)13)14-7(5)4-6/h1-4,14H
InChI Key:
KSBHDTNUEBRGFF-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)[nH]c(c2)C(F)(F)F
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.956g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
264.045g/mol
Monoisotopic Mass:
262.956g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
15.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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