Benzoic acid, 3-ami...

Benzoic acid, 3-amino-,2-[(5-nitro-2-furanyl)methylene]hydrazide(CAS No. 5584-25-8)

Benzoic acid, 3-amino-,2-[(5-nitro-2-furanyl)methylene]hydrazide(CAS No. 5584-25-8)

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Benzoic acid, 3-amino-,2-[(5-nitro-2-furanyl)methylene]hydrazide 5584-25-8 98%

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  • Appearance:Solid
  • Application:Organic Chemicals
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  • ProductionCapacity:100|Kilogram|Month
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Details:

【Name】
Benzoic acid, 3-amino-,2-[(5-nitro-2-furanyl)methylene]hydrazide
【CAS Registry number】
5584-25-8
【Synonyms】
Benzoicacid, m-amino-, (5-nitrofurfurylidene)hydrazide (7CI,8CI)
NSC 529053
【Molecular Formula】
C12H10 N4 O4 (Products with the same molecular formula)
【Molecular Weight】
274.2322
【Inchi】
InChI=1/C12H10N4O4/c13-9-3-1-2-8(6-9)12(17)15-14-7-10-4-5-11(20-10)16(18)19/h1-7H,13H2,(H,15,17)
【Canonical SMILES】
C1=CC(=CC(=C1)N)C(=O)NN=CC2=CC=C(O2)[N+](=O)[O-]
Chemical and Physical Properties
【Density】
1.48g/cm3
【Refractive Index】
1.668
【Computed Properties】
Molecular Weight:274.2322 [g/mol]
Molecular Formula:C12H10N4O4
XLogP3:1.8
H-Bond Donor:2
H-Bond Acceptor:6
Rotatable Bond Count:3
Tautomer Count:2
Exact Mass:274.070205
MonoIsotopic Mass:274.070205
Topological Polar Surface Area:126
Heavy Atom Count:20
Formal Charge:0
Complexity:395
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:5
Feature 3D Donor Count:2
Feature 3D Anion Count:1
Feature 3D Cation Count:1
Feature 3D Ring Count:2
Effective Rotor Count:5
Conformer Sampling RMSD:0.8
CID Conformer Count:11

 

 

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