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Home> Hot Product Listed T   > T5263117
220353-20-8 structure

T5263117

Iupac Name:2,4-difluoro-3-methoxybenzonitrile
CAS No.:220353-20-8
Molecular Weight:169.131
Molecular Formula:C17H18N4O2S (isomer)
Names and Identifiers
Synonyms

AB00725932-01 AC1MU544 AKOS002449359 MCULE-7116818499 MOLPORT-004-048-162 n-(2,4-dichlorophenyl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetamide n-(2,4-dichlorophenyl)-2-{[1-(2-methoxyethyl)-1h-1,3-benzodiazol-2-yl]sulfanyl}acetamide Z16216665 ZINC6567142

Inchi
InChI=1S/C8H5F2NO/c1-12-8-6(9)3-2-5(4-11)7(8)10/h2-3H,1H3
InChkey
RWTCBZZFDKXOLX-UHFFFAOYSA-N
Canonical Smiles
COC1=C(C=CC(=C1F)C#N)F
Properties
Vapour
0.0559mmHg at 25°C
Refractive Index
1.485
HS Code
2926909090
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:169.131g/mol
  • Molecular Formula:C17H18N4O2S
  • Compound Is Canonicalized:True
  • Exact Mass:169.034
  • Monoisotopic Mass:169.034
  • Complexity:201
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:33A^2
  • Heavy Atom Count:12
  • 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
  • CACTVS Substructure Key Fingerprint: AAADcYByIYAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHwAAAAAADASBmAoyBoAABACQ BiBCAAAiCAAgIAAIiAAECIgMpiKEMBqAMCAkwBEIqA+AwBAOAAABAAAAAAAAAAIAAAAAAAAAAAAA AA==
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