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Home> Hot Product Listed C   > CTK7J3528
23983-05-3 structure

CTK7J3528

CAS No.:23983-05-3
Molecular Weight:312.77346
Molecular Formula:C17H16FN3O2S (isomer)
Names and Identifiers
Synonyms

0404AD 5-(1,3-dihydro-isoindol-2-yl)-pentanoic acid hydrochloride 5-(1,3-dihydroisoindol-2-yl)pentanoic acid hydrochloride 5-(1,3-dihydro-isoindol-2-yl)-pentanoic acidhydrochloride 5-(isoindolin-2-yl)pentanoic acid hydrochloride AK232468 AKOS015844539 BG00961919 LP053030 TR-049848

Inchi
InChI=1/C16H9ClN2OS/c17-11-6-2-1-5-10(11)9-14-15(20)19-13-8-4-3-7-12(13)18-16(19)21-14/h1-9H/b14-9-
Canonical Smiles
C1=CC=C(C(=C1)C=C2C(=O)N3C4=CC=CC=C4N=C3S2)Cl
Isomers Smiles
C1=CC=C(C(=C1)/C=C\2/C(=O)N3C4=CC=CC=C4N=C3S2)Cl
Properties
Vapour
4.15E-11mmHg at 25°C
Refractive Index
1.746
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:312.77346g/mol
  • Molecular Formula:C17H16FN3O2S
  • Exact Mass:312.012411
  • Monoisotopic Mass:312.012411
  • Complexity:469
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:60.2
  • Heavy Atom Count:21
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:1
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
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