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70598-15-1 | 1H-Pyrazole-4-acetic acid, 1-(4-fluorophenyl)-3-phenyl-
CAS No: 70598-15-1 Catalog No: AG005HQO MDL No:
Product Description
Catalog Number:
AG005HQO
Chemical Name:
1H-Pyrazole-4-acetic acid, 1-(4-fluorophenyl)-3-phenyl-
CAS Number:
70598-15-1
Molecular Formula:
C17H13FN2O2
Molecular Weight:
296.2957
IUPAC Name:
2-[1-(4-fluorophenyl)-3-phenylpyrazol-4-yl]acetic acid
InChI:
InChI=1S/C17H13FN2O2/c18-14-6-8-15(9-7-14)20-11-13(10-16(21)22)17(19-20)12-4-2-1-3-5-12/h1-9,11H,10H2,(H,21,22)
InChI Key:
IATZOGIYRUCVGC-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1cn(nc1c1ccccc1)c1ccc(cc1)F
Properties
Complexity:
379
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.096g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
296.301g/mol
Monoisotopic Mass:
296.096g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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