tert-butyl 3-(4-chl...

tert-butyl 3-(4-chlorophenyl)-3-hydroxybutanoate 5292-16-0

tert-butyl 3-(4-chlorophenyl)-3-hydroxybutanoate 5292-16-0

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1 Gram

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  • Min.Order :1 Gram
  • Purity: 99%
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tert-butyl 3-(4-chlorophenyl)-3-hydroxy-butanoate 5292-16-0 98%

Quick Details

  • Appearance:Solid
  • Application:Organic Chemicals
  • PackAge:as requested
  • ProductionCapacity:100|Kilogram|Month
  • Storage:room temperature
  • Transportation:as requested

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Details:

Identification and Related Records
【Name】
tert-butyl 3-(4-chlorophenyl)-3-hydroxybutanoate
【CAS Registry number】
5292-16-0
【Synonyms】
tert-butyl 3-(4-chlorophenyl)-3-hydroxybutanoate
NSC8351
AC1L5BRY
AC1Q3NEQ
NSC-8351
AR-1L6017
【Molecular Formula】
C14H19ClO3 (Products with the same molecular formula)
【Molecular Weight】
270.7519
【Inchi】
InChI=1/C14H19ClO3/c1-13(2,3)18-12(16)9-14(4,17)10-5-7-11(15)8-6-10/h5-8,17H,9H2,1-4H3
【Canonical SMILES】
CC(C)(C)OC(=O)CC(C)(C1=CC=C(C=C1)Cl)O
【MOL File】
5292-16-0.mol
Chemical and Physical Properties
【Density】
1.151g/cm3
【Boiling Point】
374.5°C at 760 mmHg
【Refractive Index】
1.518
【Flash Point】
180.3°C
【Computed Properties】
Molecular Weight:270.75186 [g/mol]
Molecular Formula:C14H19ClO3
XLogP3-AA:2.7
H-Bond Donor:1
H-Bond Acceptor:3
Rotatable Bond Count:5
Exact Mass:270.102272
MonoIsotopic Mass:270.102272
Topological Polar Surface Area:46.5
Heavy Atom Count:18
Formal Charge:0
Complexity:290
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:1
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:2
Feature 3D Donor Count:1
Feature 3D Hydrophobe Count:1
Feature 3D Ring Count:1
Effective Rotor Count:5
Conformer Sampling RMSD:0.6
CID Conformer Count:153

 

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