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Home> Hot Product Listed L   > LNOBNMFTMSRUAA-UHFFFAOYSA-N
854952-58-2 structure

LNOBNMFTMSRUAA-UHFFFAOYSA-N

Iupac Name:(9-phenylcarbazol-3-yl)boronic acid
CAS No.:854952-58-2
Molecular Weight:287.125
Molecular Formula:C15H7CL3OS2 (isomer)
Names and Identifiers
Synonyms

1,4-dioxa-8-azaspiro[4.5]decane-8-sulfonamide, n,n-dimethyl- AC1MXYXW AKOS005502462 c9h18n2o4s MCULE-2083993844 MOLPORT-002-635-148 n,n-dimethyl-1,4-dioxa-8-azaspiro[4.5]decane-8-sulfonamide SCHEMBL2079170 STK578547 STOCK5S-21969 ZINC5573610

Inchi
InChI=1S/C18H14BNO2/c21-19(22)13-10-11-18-16(12-13)15-8-4-5-9-17(15)20(18)14-6-2-1-3-7-14/h1-12,21-22H
InChkey
JWJQEUDGBZMPAX-UHFFFAOYSA-N
Canonical Smiles
B(C1=CC2=C(C=C1)N(C3=CC=CC=C32)C4=CC=CC=C4)(O)O
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 854952-58-2 EC: LNOBNMFTMSRUAA-UHFFFAOYSA-N ·ECHA C&L Inventory for CAS: CAS: 854952-58-2 EC: LNOBNMFTMSRUAA-UHFFFAOYSA-N
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:287.125g/mol
  • Molecular Formula:C15H7CL3OS2
  • Compound Is Canonicalized:True
  • Exact Mass:287.112
  • Monoisotopic Mass:287.112
  • Complexity:385
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:45.4A^2
  • Heavy Atom Count:22
  • 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: AAADccJ6MAAAAAAAAAAAAAAAAAAAAWAAAAAwYMAAAAAAAFgB/AAoHAAACAAADAiBHgAwwPMMEACg AyRiRACCgCAhAiAImCAwZJgIIOLAkZGEIAhggADIyAcQgMAOgAAAAAACAAAAAAAAAAQAAAAAAAAA AA==
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