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303095-12-7 | 1,3-Benzenediol, 4-ethyl-6-[4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-
CAS No: 303095-12-7 Catalog No: AG002ZM3 MDL No:
Product Description
Catalog Number:
AG002ZM3
Chemical Name:
1,3-Benzenediol, 4-ethyl-6-[4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-
CAS Number:
303095-12-7
Molecular Formula:
C18H15F3N2O2
Molecular Weight:
348.3191
IUPAC Name:
4-ethyl-6-[4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzene-1,3-diol
InChI:
InChI=1S/C18H15F3N2O2/c1-2-10-8-12(14(25)9-13(10)24)16-15(11-6-4-3-5-7-11)17(23-22-16)18(19,20)21/h3-9,24-25H,2H2,1H3,(H,22,23)
InChI Key:
UMWWRGOCFBZBMK-UHFFFAOYSA-N
SMILES:
CCc1cc(c(cc1O)O)c1n[nH]c(c1c1ccccc1)C(F)(F)F
Properties
Complexity:
443
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
348.109g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
348.325g/mol
Monoisotopic Mass:
348.109g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
69.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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