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113445-70-8 | 1(2H)-Phthalazinone, 4-[1,1'-biphenyl]-4-yl-
CAS No: 113445-70-8 Catalog No: AG0008LY MDL No:
Product Description
Catalog Number:
AG0008LY
Chemical Name:
1(2H)-Phthalazinone, 4-[1,1'-biphenyl]-4-yl-
CAS Number:
113445-70-8
Molecular Formula:
C20H14N2O
Molecular Weight:
298.3380
IUPAC Name:
4-(4-phenylphenyl)-2H-phthalazin-1-one
InChI:
InChI=1S/C20H14N2O/c23-20-18-9-5-4-8-17(18)19(21-22-20)16-12-10-15(11-13-16)14-6-2-1-3-7-14/h1-13H,(H,22,23)
InChI Key:
PNASKUXNKPITSB-UHFFFAOYSA-N
SMILES:
O=c1[nH]nc(c2c1cccc2)c1ccc(cc1)c1ccccc1
Properties
Complexity:
458
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.111g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
298.345g/mol
Monoisotopic Mass:
298.111g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
41.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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