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70598-11-7 | 1H-Pyrazole-4-acetic acid, 3-(4-fluorophenyl)-1-phenyl-
CAS No: 70598-11-7 Catalog No: AG005HQP MDL No:MFCD11899915
Product Description
Catalog Number:
AG005HQP
Chemical Name:
1H-Pyrazole-4-acetic acid, 3-(4-fluorophenyl)-1-phenyl-
CAS Number:
70598-11-7
Molecular Formula:
C17H13FN2O2
Molecular Weight:
296.2957
MDL Number:
MFCD11899915
IUPAC Name:
2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]acetic acid
InChI:
InChI=1S/C17H13FN2O2/c18-14-8-6-12(7-9-14)17-13(10-16(21)22)11-20(19-17)15-4-2-1-3-5-15/h1-9,11H,10H2,(H,21,22)
InChI Key:
PXNBTCYMLAVUNL-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1cn(nc1c1ccc(cc1)F)c1ccccc1
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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