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Home> Hot Product Listed B   > Boronic acid, (2-ethoxy-5,6,7,8-tetrahydro-1-naphthalenyl)- (9CI)
132432-63-4 structure

Boronic acid, (2-ethoxy-5,6,7,8-tetrahydro-1-naphthalenyl)- (9CI)

Iupac Name:[1-acetyloxy-3-bis(2-chloroethylamino)phosphoryloxypropyl] acetate
CAS No.:132432-63-4
Molecular Weight:379.171
Molecular Formula:C5H6N2O2 (isomer)
Names and Identifiers
Synonyms

(2-ethoxy-5,6,7,8-tetrahydro-1-naphthalenyl)boronic acid (2-ethoxy-5,6,7,8-tetrahydronaphthalen-1-yl)boronic acid AK455267 AKOS027411017 DTXSID90624239 KB-276512 OR138344 SCHEMBL6167338 ZINC197020588

Inchi
InChI=1S/C11H21Cl2N2O6P/c1-9(16)20-11(21-10(2)17)3-8-19-22(18,14-6-4-12)15-7-5-13/h11H,3-8H2,1-2H3,(H2,14,15,18)
InChkey
TXUKQFRFZDNXDO-UHFFFAOYSA-N
Canonical Smiles
CC(=O)OC(CCOP(=O)(NCCCl)NCCCl)OC(=O)C
Properties
Vapour
3.06E-09mmHg at 25°C
Refractive Index
1.48
Computational chemical data
  • Molecular Weight:379.171g/mol
  • Molecular Formula:C5H6N2O2
  • Compound Is Canonicalized:True
  • Exact Mass:378.051
  • Monoisotopic Mass:378.051
  • Complexity:371
  • Rotatable Bond Count:14
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:8
  • 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
 
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