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Home> Hot Product Listed 2   > 2-chloro-n-[(3e)-2-(2-methylpropyl)-2,3-dihydro-1h-pyrazol-3-ylidene]acetamide
332874-04-1 structure

2-chloro-n-[(3e)-2-(2-methylpropyl)-2,3-dihydro-1h-pyrazol-3-ylidene]acetamide

Iupac Name:3-[(5-bromopyridine-3-carbonyl)amino]propanoic acid
CAS No.:332874-04-1
Molecular Weight:273.086
Molecular Formula:C14H16F3N3O3 (isomer)
Names and Identifiers
Synonyms

2-chloro-n-[2-(2-methylpropyl)-2,3-dihydro-1h-pyrazol-3-ylidene]acetamide AC1Q1PMV AKOS026729157 CTK6H4518 EN300-46161 MOLPORT-016-634-012 NE35723 ZINC38341978

Inchi
InChI=1S/C9H9BrN2O3/c10-7-3-6(4-11-5-7)9(15)12-2-1-8(13)14/h3-5H,1-2H2,(H,12,15)(H,13,14)
InChkey
UXDDCRYZCDOAEL-UHFFFAOYSA-N
Canonical Smiles
C1=C(C=NC=C1Br)C(=O)NCCC(=O)O
Safety and Handling
Safety Statements
Hazard Codes Xi
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

Computational chemical data
  • Molecular Weight:273.086g/mol
  • Molecular Formula:C14H16F3N3O3
  • Compound Is Canonicalized:True
  • Exact Mass:271.98
  • Monoisotopic Mass:271.98
  • Complexity:248
  • Rotatable Bond Count:4
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:4
  • Heavy Atom Count:15
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
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