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sodium 4-[(1E)-2-[4-(dimethylamino)phenyl]diazen-1-yl]benzoate

sodium 4-[(1E)-2-[4-(dimethylamino)phenyl]diazen-1-yl]benzoate

CAS: 845-46-5

Formula: C15H14N3NaO2

SMILES: [Na+].CN(C)C1=CC=C(C=C1)N=NC1=CC=C(C=C1)C([O-])=O

IUPAC: sodium 4-[(1E)-2-[4-(dimethylamino)phenyl]diazen-1-yl]benzoate

InChI: InChI=1S/C15H15N3O2.Na/c1-18(2)14-9-7-13(8-10-14)17-16-12-5-3-11(4-6-12)15(19)20;/h3-10H,1-2H3,(H,19,20);/q;+1/p-1/b17-16+;

Composition: C (61.85%), H (4.84%), N (14.43%), Na (7.89%), O (10.99%)

Molar Mass: 291.286

Atom Count: 35

Heavy Atom Count: 21

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 291.09837098
Formal Charge 0
FSP3 0.13
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 0
InChIKey OSCKRHPYZNTEIO-CMBBICFISA-M
Lipinski's Rule of Five 1
Molar Refractivity 92.9
Topological Polar Surface Area 68.09
Polarizability 28.62
Ring Count 2
Rotatable Bond Count 4

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