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338976-06-0 | N-(4-chlorophenyl)-4-oxo-3-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1-phthalazinecarboxamide
CAS No: 338976-06-0 Catalog No: AG01FON1 MDL No:
Product Description
Catalog Number:
AG01FON1
Chemical Name:
N-(4-chlorophenyl)-4-oxo-3-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1-phthalazinecarboxamide
CAS Number:
338976-06-0
IUPAC Name:
N-(4-chlorophenyl)-4-oxo-3-[3-(trifluoromethyl)phenyl]phthalazine-1-carboxamide
InChI:
InChI=1S/C22H13ClF3N3O2/c23-14-8-10-15(11-9-14)27-20(30)19-17-6-1-2-7-18(17)21(31)29(28-19)16-5-3-4-13(12-16)22(24,25)26/h1-12H,(H,27,30)
InChI Key:
VAGHFSCPNUWTRA-UHFFFAOYSA-N
Properties
Complexity:
721
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
443.065g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
443.81g/mol
Monoisotopic Mass:
443.065g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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