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Home > Fluorides > 1001112-68-0
1001112-68-0 | Pyridine, 4-[5-[(4-fluorophenyl)methyl]-1H-pyrazol-3-yl]-
CAS No: 1001112-68-0 Catalog No: AG0000YY MDL No:MFCD25372000
Product Description
Catalog Number:
AG0000YY
Chemical Name:
Pyridine, 4-[5-[(4-fluorophenyl)methyl]-1H-pyrazol-3-yl]-
CAS Number:
1001112-68-0
Molecular Formula:
C15H12FN3
Molecular Weight:
253.2743
MDL Number:
MFCD25372000
IUPAC Name:
4-[5-[(4-fluorophenyl)methyl]-1H-pyrazol-3-yl]pyridine
InChI:
InChI=1S/C15H12FN3/c16-13-3-1-11(2-4-13)9-14-10-15(19-18-14)12-5-7-17-8-6-12/h1-8,10H,9H2,(H,18,19)
InChI Key:
RGQWNRLBTXGYOQ-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)Cc1[nH]nc(c1)c1ccncc1
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.102g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
253.28g/mol
Monoisotopic Mass:
253.102g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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