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Home> Hot Product Listed F   > F5831-6965
51788-80-8 structure

F5831-6965

Iupac Name:1-(4-fluoro-2-methoxyphenyl)ethanone
CAS No.:51788-80-8
Molecular Weight:168.164963
Molecular Formula:C20H28N6O3S (isomer)
Names and Identifiers
Synonyms

4-phenyl-n-((1-(thiophen-2-ylmethyl)piperidin-4-yl)methyl)tetrahydro-2h-pyran-4-carboxamide AKOS024520527 MCULE-8156022641 MOLPORT-009-743-879 VU0522256-1 ZINC38584630

Inchi
InChI=1/C9H9FO2/c1-6(11)8-4-3-7(10)5-9(8)12-2/h3-5H,1-2H3
InChkey
YOXBPWVWNQROBJ-UHFFFAOYSA-N
Canonical Smiles
CC(=O)C1=C(C=C(C=C1)F)OC
Properties
Melting Point
51 °C
Safety and Handling
Risk Statements
R36/37/38
Safety Statements
S26;S36
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H315 Causes skin irritation

H319 Causes serious eye irritation

H335 May cause respiratory irritation

Precautionary statement(s)
Prevention

none

Response

none

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:168.164963g/mol
  • Molecular Formula:C20H28N6O3S
  • XLogP3-AA:1.9
  • Exact Mass:168.058658
  • Monoisotopic Mass:168.058658
  • Complexity:170
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:26.3
  • 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
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Recommended Suppliers
  • Tel:86-571-88938639
  • Fax:86-571-88938652
  • Tel:86-571-87396430
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  • Tel:0086-531-58773055
  • Fax:0086-531-58773066
  • Tel:86-21-61723543
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  • Tel:86-311-66600578
  • Fax:86-311-66600576
  • Tel:86-21-60542966
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  • Tel:86-571-85586718
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