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sodium 4-(phenylamino)benzenesulfonate

sodium 4-(phenylamino)benzenesulfonate

CAS: 6152-67-6

Formula: C12H10NNaO3S

SMILES: [Na]OS(=O)(=O)C1=CC=C(NC2=CC=CC=C2)C=C1

IUPAC: sodium 4-(phenylamino)benzene-1-sulfonate

InChI: InChI=1S/C12H11NO3S.Na/c14-17(15,16)12-8-6-11(7-9-12)13-10-4-2-1-3-5-10;/h1-9,13H,(H,14,15,16);/q;+1/p-1

Composition: C (53.13%), H (3.72%), N (5.16%), Na (8.47%), O (17.69%), S (11.82%)

Molar Mass: 271.27

Atom Count: 28

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 271.02790864
Formal Charge 0
FSP3 0
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey DGXTZMPQSMIFEC-UHFFFAOYSA-M
Lipinski's Rule of Five 1
Molar Refractivity 63.95
Topological Polar Surface Area 55.4
Polarizability 27.54
Ring Count 2
Rotatable Bond Count 4

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