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5-[(4-nitro-2-sulfophenyl)amino]benzene-1,3-dicarboxylic acid

5-[(4-nitro-2-sulfophenyl)amino]benzene-1,3-dicarboxylic acid

Formula: C14H10N2O9S

SMILES: OC(=O)C1=CC(=CC(NC2=CC=C(C=C2S(O)(=O)=O)[N+]([O-])=O)=C1)C(O)=O

IUPAC: 5-[(4-nitro-2-sulfophenyl)amino]benzene-1,3-dicarboxylic acid

InChI: InChI=1S/C14H10N2O9S/c17-13(18)7-3-8(14(19)20)5-9(4-7)15-11-2-1-10(16(21)22)6-12(11)26(23,24)25/h1-6,15H,(H,17,18)(H,19,20)(H,23,24,25)

Composition: C (43.98%), H (2.64%), N (7.33%), O (37.66%), S (8.39%)

Molar Mass: 382.3

Atom Count: 36

Heavy Atom Count: 26

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 382.010701084
Formal Charge 0
FSP3 0
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 10
Hydrogen Bond Donor Count 4
InChIKey CMAKZKYZIKSINK-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 86
Topological Polar Surface Area 184.14
Polarizability 32.56
Ring Count 2
Rotatable Bond Count 6

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C14H10N2O9S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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