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1256809-31-0 | 1H-Pyrrolo[2,3-b]pyridine, 5-chloro-3-(trifluoromethyl)-
CAS No: 1256809-31-0 Catalog No: AG000OEV MDL No:
Product Description
Catalog Number:
AG000OEV
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine, 5-chloro-3-(trifluoromethyl)-
CAS Number:
1256809-31-0
Molecular Formula:
C8H4ClF3N2
Molecular Weight:
220.5790
IUPAC Name:
5-chloro-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine
InChI:
InChI=1S/C8H4ClF3N2/c9-4-1-5-6(8(10,11)12)3-14-7(5)13-2-4/h1-3H,(H,13,14)
InChI Key:
FMRPWBQJBVTFLJ-UHFFFAOYSA-N
SMILES:
FC(c1c[nH]c2c1cc(Cl)cn2)(F)F
Properties
Complexity:
221
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.002g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
220.579g/mol
Monoisotopic Mass:
220.002g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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