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1260886-63-2 | 1H-Indole, 5-chloro-7-(trifluoromethyl)-
CAS No: 1260886-63-2 Catalog No: AG000RJ4 MDL No:
Product Description
Catalog Number:
AG000RJ4
Chemical Name:
1H-Indole, 5-chloro-7-(trifluoromethyl)-
CAS Number:
1260886-63-2
Molecular Formula:
C9H5ClF3N
Molecular Weight:
219.5909
IUPAC Name:
5-chloro-7-(trifluoromethyl)-1H-indole
InChI:
InChI=1S/C9H5ClF3N/c10-6-3-5-1-2-14-8(5)7(4-6)9(11,12)13/h1-4,14H
InChI Key:
MZQMUJQMTMCHIN-UHFFFAOYSA-N
SMILES:
Clc1cc2cc[nH]c2c(c1)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:
219.006g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
219.591g/mol
Monoisotopic Mass:
219.006g/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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