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16965-08-5 | tert-Butyl (2,4,5-trichlorophenyl); carbonate
CAS No: 16965-08-5 Catalog No: AG003OPJ MDL No:MFCD00000550
Product Description
Catalog Number:
AG003OPJ
Chemical Name:
tert-Butyl (2,4,5-trichlorophenyl); carbonate
CAS Number:
16965-08-5
Molecular Formula:
C11H11Cl3O3
Molecular Weight:
297.5622
MDL Number:
MFCD00000550
IUPAC Name:
tert-butyl (2,4,5-trichlorophenyl) carbonate
InChI:
InChI=1S/C11H11Cl3O3/c1-11(2,3)17-10(15)16-9-5-7(13)6(12)4-8(9)14/h4-5H,1-3H3
InChI Key:
LJFPGBIHDPZHIN-UHFFFAOYSA-N
SMILES:
O=C(Oc1cc(Cl)c(cc1Cl)Cl)OC(C)(C)C
EC Number:
241-039-5
Properties
Complexity:
278
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.977g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
297.556g/mol
Monoisotopic Mass:
295.977g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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