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Home> Encyclopedia > Hot Product Listed 3   > 3-(3-chlorophenoxymethyl)phenylboronic acid
1256358-73-2 structure

3-(3-chlorophenoxymethyl)phenylboronic acid

Iupac Name:[3-[(3-chlorophenoxy)methyl]phenyl]boronic acid
CAS No.:1256358-73-2
Molecular Weight:262.496g/mol
Molecular Formula:C13H12BClO3 (isomer)
Names and Identifiers
Synonyms

(3-((3-chlorophenoxy)methyl)phenyl)boronic acid {3-[(3-chlorophenoxy)methyl]phenyl}boronic acid 3-[(3-chlorophenoxy)methyl]phenylboronic acid, aldrichcpr ACMC-209AZT AK-85247 AKOS005974756 ANW-18519 AX8236210 B-6771 CTK4B4681 DTXSID70681345 I04-2591 KB-26796 mfcd16198516 SCHEMBL15330536 TR-035344 X1991 ZINC169926336

Inchi
InChI=1S/C13H12BClO3/c15-12-5-2-6-13(8-12)18-9-10-3-1-4-11(7-10)14(16)17/h1-8,16-17H,9H2
InChkey
MNHIXOHXTULBIZ-UHFFFAOYSA-N
Canonical Smiles
B(C1=CC(=CC=C1)COC2=CC(=CC=C2)Cl)(O)O
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:262.496g/molg/mol
  • Molecular Formula:C13H12BClO3
  • Compound Is Canonicalized:True
  • Exact Mass:262.057
  • Monoisotopic Mass:262.057
  • Complexity:252
  • Rotatable Bond Count:4
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:49.7A^2
  • Heavy Atom Count:18
  • 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: AAADccJwMAAEAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAABQAAoGgIACAAADAagmCIwBoAABACA AiBCAAACCAAgJQAIiAAGCogMJiKFMxqCOCCkwBEIqAeAwCAOAAAAAQAAAAAAAAACAAAAAAAAAAAA AA==
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