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Home > Bromides > 1198475-24-9
1198475-24-9 | 1H-Indole, 5-bromo-6-(trifluoromethyl)-
CAS No: 1198475-24-9 Catalog No: AG000PRR MDL No:MFCD03094968
Product Description
Catalog Number:
AG000PRR
Chemical Name:
1H-Indole, 5-bromo-6-(trifluoromethyl)-
CAS Number:
1198475-24-9
Molecular Formula:
C9H5BrF3N
Molecular Weight:
264.0419
MDL Number:
MFCD03094968
IUPAC Name:
5-bromo-6-(trifluoromethyl)-1H-indole
InChI:
InChI=1S/C9H5BrF3N/c10-7-3-5-1-2-14-8(5)4-6(7)9(11,12)13/h1-4,14H
InChI Key:
BANFNSUAJPLWMG-UHFFFAOYSA-N
SMILES:
Brc1cc2cc[nH]c2cc1C(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:
3.6
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