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Home> Hot Product Listed T   > T6765687
2765-04-0 structure

T6765687

CAS No.:2765-04-0
Molecular Weight:180.35448
Molecular Formula:C19H15FN2O3 (isomer)
Names and Identifiers
Synonyms

[(4-cyano-1-phenyl-1h-pyrazol-5-yl)carbamoyl]methyl 3-(4-butyl-3-oxo-3,4-dihydroquinoxalin-2-yl)propanoate MCULE-6196616433 MOLPORT-009-113-807 Z954564110 ZINC62592013

Inchi
InChI=1S/C6H12S3/c1-4-7-5(2)9-6(3)8-4/h4-6H,1-3H3
InChkey
XQVYLDFSPBXACS-UHFFFAOYSA-N
Canonical Smiles
CC1SC(SC(S1)C)C
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 2765-04-0 EC: T6765687 ·ECHA C&L Inventory for CAS: CAS: 2765-04-0 EC: T6765687
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H302 Harmful if swallowed

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P270 Do not eat, drink or smoke when using this product.

Response

P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/\u2026if you feel unwell.

P330 Rinse mouth.

Storage

none

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:180.35448g/mol
  • Molecular Formula:C19H15FN2O3
  • Exact Mass:180.010112
  • Monoisotopic Mass:180.010112
  • Complexity:63.3
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:75.9
  • Heavy Atom Count:9
  • 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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