hydroxy-oxo-[[(4Z)-...

hydroxy-oxo-[[(4Z)-4-(6-oxo-1-cyclohexa-2,4-dienylidene)-6-phenyl-3H-pyrimidin-2-yl]amino]azanium 53511-34-5

hydroxy-oxo-[[(4Z)-4-(6-oxo-1-cyclohexa-2,4-dienylidene)-6-phenyl-3H-pyrimidin-2-yl]amino]azanium 53511-34-5

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1 Gram

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  • Min.Order :1 Gram
  • Purity: 99%
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Keywords

hydroxy-oxo-[[(4Z)-4-(6-oxo-1-cyclohexa-2,4-dienylidene)-6-phenyl-3H-pyrimidin-2-yl]amino]azanium 53511-34-5 hydroxy-oxo-[[(4Z)-4-(6-oxo-1-cyclohexa-2,4-dienylidene)-6-phenyl-3H-pyrimidin-2-yl]amino]azanium 53511-34-5

Quick Details

  • Appearance:Solid
  • Application:Organic Chemicals
  • PackAge:as requested
  • ProductionCapacity:100|Kilogram|Month
  • Storage:room temperature
  • Transportation:as requested

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Details:

Identification and Related Records
【Name】
1-hydroxy-1-oxo-2-[(6Z)-6-(6-oxocyclohexa-2,4-dien-1-ylidene)-4-phenyl-1,6-dihydropyrimidin-2-yl]diazanium
【CAS Registry number】
53511-34-5
【Synonyms】
AC1NUEV0
NSC205068
NSC-205068
N-[(6Z)-6-(6-oxocyclohexa-2,4-dien-1-ylidene)-4-phenyl-1H-pyrimidin-2-yl]nitramide
【Molecular Formula】
C16H13N4O3 (Products with the same molecular formula)
【Molecular Weight】
309.2989
【Inchi】
InChI=1/C16H12N4O3/c21-15-9-5-4-8-12(15)14-10-13(11-6-2-1-3-7-11)17-16(18-14)19-20(22)23/h1-10H,(H2-,17,18,19,21,22,23)/p+1
【Canonical SMILES】
C1=CC=C(C=C1)C2=CC(=C3C=CC=CC3=O)NC(=N2)N[N+](=O)[O-]
【Isomers smiles】
C1=CC=C(C=C1)C2=C/C(=C/3\C=CC=CC3=O)/NC(=N2)N[N+](=O)[O-]
【MOL File】
53511-34-5.mol
Chemical and Physical Properties
【Density】
g/cm3
【Boiling Point】
°Cat760mmHg
【Flash Point】
°C
【Computed Properties】
Molecular Weight:308.29148 [g/mol]
Molecular Formula:C16H12N4O3
XLogP3-AA:2.3
H-Bond Donor:2
H-Bond Acceptor:4
Rotatable Bond Count:2
Tautomer Count:15
Exact Mass:308.09094
MonoIsotopic Mass:308.09094
Topological Polar Surface Area:99.3
Heavy Atom Count:23
Formal Charge:0
Complexity:674
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:1
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:3
Feature 3D Donor Count:2
Feature 3D Cation Count:1
Feature 3D Ring Count:3
Effective Rotor Count:3.2
Conformer Sampling RMSD:0.6
CID Conformer Count:8

 

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