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18942-25-1 | Carbonic acid, 1,1-dimethylethyl pentachlorophenyl ester (9CI)
CAS No: 18942-25-1 Catalog No: AG002DNI MDL No:MFCD00015947
Product Description
Catalog Number:
AG002DNI
Chemical Name:
Carbonic acid, 1,1-dimethylethyl pentachlorophenyl ester (9CI)
CAS Number:
18942-25-1
Molecular Formula:
C11H9Cl5O3
Molecular Weight:
366.4524
MDL Number:
MFCD00015947
IUPAC Name:
tert-butyl (2,3,4,5,6-pentachlorophenyl) carbonate
InChI:
InChI=1S/C11H9Cl5O3/c1-11(2,3)19-10(17)18-9-7(15)5(13)4(12)6(14)8(9)16/h1-3H3
InChI Key:
GHBRKMLMVFKZKW-UHFFFAOYSA-N
SMILES:
O=C(Oc1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl)OC(C)(C)C
Properties
Complexity:
317
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
365.896g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
366.44g/mol
Monoisotopic Mass:
363.899g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.2
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