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Home > Fluorides > 1097778-72-7
1097778-72-7 | 5-(1H-Pyrazol-5-yl)-2-(trifluoromethyl)pyridine
CAS No: 1097778-72-7 Catalog No: AG01F9PO MDL No:
Product Description
Catalog Number:
AG01F9PO
Chemical Name:
5-(1H-Pyrazol-5-yl)-2-(trifluoromethyl)pyridine
CAS Number:
1097778-72-7
Molecular Formula:
C9H6F3N3
Molecular Weight:
213.1592
IUPAC Name:
5-(1H-pyrazol-5-yl)-2-(trifluoromethyl)pyridine
InChI:
InChI=1S/C9H6F3N3/c10-9(11,12)8-2-1-6(5-13-8)7-3-4-14-15-7/h1-5H,(H,14,15)
InChI Key:
KJRKHVPNKQRJPQ-UHFFFAOYSA-N
SMILES:
FC(c1ccc(cn1)c1ccn[nH]1)(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:
213.051g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
213.163g/mol
Monoisotopic Mass:
213.051g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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