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174745-01-8 | Carbonic acid, (1S)-1-phenylethyl 2,2,2-trichloro-1,1-dimethylethyl ester
CAS No: 174745-01-8 Catalog No: AG001ZWK MDL No:
Product Description
Catalog Number:
AG001ZWK
Chemical Name:
Carbonic acid, (1S)-1-phenylethyl 2,2,2-trichloro-1,1-dimethylethyl ester
CAS Number:
174745-01-8
Molecular Formula:
C13H15Cl3O3
Molecular Weight:
325.6154
IUPAC Name:
[(1S)-1-phenylethyl] (1,1,1-trichloro-2-methylpropan-2-yl) carbonate
InChI:
InChI=1S/C13H15Cl3O3/c1-9(10-7-5-4-6-8-10)18-11(17)19-12(2,3)13(14,15)16/h4-9H,1-3H3/t9-/m0/s1
InChI Key:
ZABKWDNLEZHWQQ-VIFPVBQESA-N
SMILES:
C[C@@H](c1ccccc1)OC(=O)OC(C(Cl)(Cl)Cl)(C)C
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
324.009g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
325.61g/mol
Monoisotopic Mass:
324.009g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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