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830332-05-3 | Phenol, 2-(5-phenyl[3,4'-bi-1H-pyrazol]-3'-yl)-
CAS No: 830332-05-3 Catalog No: AG004XV1 MDL No:
Product Description
Catalog Number:
AG004XV1
Chemical Name:
Phenol, 2-(5-phenyl[3,4'-bi-1H-pyrazol]-3'-yl)-
CAS Number:
830332-05-3
Molecular Formula:
C18H14N4O
Molecular Weight:
302.3300
IUPAC Name:
2-[4-(3-phenyl-1H-pyrazol-5-yl)-1H-pyrazol-5-yl]phenol
InChI:
InChI=1S/C18H14N4O/c23-17-9-5-4-8-13(17)18-14(11-19-22-18)16-10-15(20-21-16)12-6-2-1-3-7-12/h1-11,23H,(H,19,22)(H,20,21)
InChI Key:
XYNKGXWRNIKPIO-UHFFFAOYSA-N
SMILES:
Oc1ccccc1c1n[nH]cc1c1n[nH]c(c1)c1ccccc1
Properties
Complexity:
387
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.117g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
302.337g/mol
Monoisotopic Mass:
302.117g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
77.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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