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115584-73-1 | Benzoic acid, 4-(2-phenyldiazenyl)-, 2,5-dioxo-1-pyrrolidinyl ester
CAS No: 115584-73-1 Catalog No: AG000G78 MDL No:
Product Description
Catalog Number:
AG000G78
Chemical Name:
Benzoic acid, 4-(2-phenyldiazenyl)-, 2,5-dioxo-1-pyrrolidinyl ester
CAS Number:
115584-73-1
Molecular Formula:
C17H13N3O4
Molecular Weight:
323.3028
IUPAC Name:
(2,5-dioxopyrrolidin-1-yl) 4-phenyldiazenylbenzoate
InChI:
InChI=1S/C17H13N3O4/c21-15-10-11-16(22)20(15)24-17(23)12-6-8-14(9-7-12)19-18-13-4-2-1-3-5-13/h1-9H,10-11H2
InChI Key:
OIALFOHJUFLJFP-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)N=Nc1ccccc1)ON1C(=O)CCC1=O
Properties
Complexity:
504
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.091g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
323.308g/mol
Monoisotopic Mass:
323.091g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
88.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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