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Home> Hot Product Listed T   > T6301282
92855-65-7 structure

T6301282

Iupac Name:7-phenylmethoxy-1H-indole-3-carbaldehyde
CAS No.:92855-65-7
Molecular Weight:251.285
Molecular Formula:C22H23BRN4O4 (isomer)
Names and Identifiers
Synonyms

2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-n-methylacetamide MCULE-8402435285 MOLPORT-009-380-625 Z103858058

Inchi
InChI=1S/C16H13NO2/c18-10-13-9-17-16-14(13)7-4-8-15(16)19-11-12-5-2-1-3-6-12/h1-10,17H,11H2
InChkey
RNARWQXZOKWYHY-UHFFFAOYSA-N
Canonical Smiles
C1=CC=C(C=C1)COC2=CC=CC3=C2NC=C3C=O
Properties
Melting Point
158-162ºC
Refractive Index
1.697
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:251.285g/mol
  • Molecular Formula:C22H23BRN4O4
  • Compound Is Canonicalized:True
  • Exact Mass:251.095
  • Monoisotopic Mass:251.095
  • Complexity:301
  • Rotatable Bond Count:4
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:42.1A^2
  • Heavy Atom Count:19
  • 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: AAADccB6MAAAAAAAAAAAAAAAAAAAAWAAAAAwYAAAAAAAAFgB9AAAHgAQAAAADAzhngY8xvLJlACo Azx3xASCiCA1YCAI2aEvTNgOJvrEtZuHOajkwBHY6cec3PDOgAABAAACEAAAAAIAAAQgAAAAAAAA AA==
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