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Home > Fluorides > 1256807-20-1
1256807-20-1 | 1H-Pyrrolo[2,3-b]pyridine-3-carbonitrile, 5-(trifluoromethyl)-
CAS No: 1256807-20-1 Catalog No: AG000ODP MDL No:
Product Description
Catalog Number:
AG000ODP
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine-3-carbonitrile, 5-(trifluoromethyl)-
CAS Number:
1256807-20-1
Molecular Formula:
C9H4F3N3
Molecular Weight:
211.1434
IUPAC Name:
5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile
InChI:
InChI=1S/C9H4F3N3/c10-9(11,12)6-1-7-5(2-13)3-14-8(7)15-4-6/h1,3-4H,(H,14,15)
InChI Key:
MJQHDVHQJPCJGE-UHFFFAOYSA-N
SMILES:
N#Cc1c[nH]c2c1cc(cn2)C(F)(F)F
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.036g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
211.147g/mol
Monoisotopic Mass:
211.036g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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