((N-acryloylamino)phenyl)mercuric chloride , CAS No.72136-45-9

CAS: 72136-45-9 Cat. No.: N944497 Molecular Weight: 382.210

Storage

Room temperature

Specifications

Storage

Room temperature

Names and Identifiers

• Canonical Smiles: C=CC(=O)NC1=CC=C(C=C1)[Hg]Cl
• IUPAC Name: chloro-[4-(prop-2-enoylamino)phenyl]mercury
• InChIKey: DIPGXZOGSJODTA-UHFFFAOYSA-M
• INCHI: 1S/C9H8NO.ClH.Hg/c1-2-9(11)10-8-6-4-3-5-7-8;;/h2,4-7H,1H2,(H,10,11);1H;/q;;+1/p-1
• Molecular Weight: 382.210

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Anilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Anilides
• Intermediate Tree Nodes: Not available
• Direct Parent: Anilides
• Alternative Parents: N-arylamides Metal aryls Acrylic acids and derivatives Secondary carboxylic acid amides Organic transition metal salts Organopnictogen compounds Organomercurial compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Anilide - N-arylamide - Metal aryl - Acrylic acid or derivatives - Secondary carboxylic acid amide - Carboxamide group - Organic metal salt - Organic transition metal salt - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organooxygen compound - Organonitrogen compound - Organometallic compound - Organomercurial-compound - Organic transition metal moeity - Carbonyl group - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as anilides. These are organic heterocyclic compounds derived from oxoacids RkE(=O)l(OH)m (l not 0) by replacing an OH group by the NHPh group or derivative formed by ring substitution.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Molecular Weight: 382.210 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 383 Da
• Monoisotopic Mass: 383 Da
• Topological Polar Surface Area: 29.100 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 190.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

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