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20988-85-6 | 1-Phthalazinecarboxylic acid, 3,4-dihydro-3-phenyl-4-thioxo-
CAS No: 20988-85-6 Catalog No: AG002KGH MDL No:
Product Description
Catalog Number:
AG002KGH
Chemical Name:
1-Phthalazinecarboxylic acid, 3,4-dihydro-3-phenyl-4-thioxo-
CAS Number:
20988-85-6
Molecular Formula:
C15H10N2O2S
Molecular Weight:
282.3171
IUPAC Name:
3-phenyl-4-sulfanylidenephthalazine-1-carboxylic acid
InChI:
InChI=1S/C15H10N2O2S/c18-15(19)13-11-8-4-5-9-12(11)14(20)17(16-13)10-6-2-1-3-7-10/h1-9H,(H,18,19)
InChI Key:
KNXTVOBGGOILAT-UHFFFAOYSA-N
SMILES:
OC(=O)c1nn(c2ccccc2)c(=S)c2c1cccc2
Properties
Complexity:
443
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.046g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
282.317g/mol
Monoisotopic Mass:
282.046g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
85A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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