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827303-78-6 | 1(2H)-Phthalazinone, 4-[4-(2,5-dimethyl-1H-pyrrol-1-yl)phenyl]-
CAS No: 827303-78-6 Catalog No: AG0050QZ MDL No:
Product Description
Catalog Number:
AG0050QZ
Chemical Name:
1(2H)-Phthalazinone, 4-[4-(2,5-dimethyl-1H-pyrrol-1-yl)phenyl]-
CAS Number:
827303-78-6
Molecular Formula:
C20H17N3O
Molecular Weight:
315.3685
IUPAC Name:
4-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-2H-phthalazin-1-one
InChI:
InChI=1S/C20H17N3O/c1-13-7-8-14(2)23(13)16-11-9-15(10-12-16)19-17-5-3-4-6-18(17)20(24)22-21-19/h3-12H,1-2H3,(H,22,24)
InChI Key:
ORZOKSNVMANCEK-UHFFFAOYSA-N
SMILES:
O=c1[nH]nc(c2c1cccc2)c1ccc(cc1)n1c(C)ccc1C
Properties
Complexity:
499
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.137g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
315.376g/mol
Monoisotopic Mass:
315.137g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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