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138272-11-4 | 1-Pyrrolidinecarboxylic acid, 2-oxo-, 2,2,2-trichloroethyl ester
CAS No: 138272-11-4 Catalog No: AG0018FQ MDL No:
Product Description
Catalog Number:
AG0018FQ
Chemical Name:
1-Pyrrolidinecarboxylic acid, 2-oxo-, 2,2,2-trichloroethyl ester
CAS Number:
138272-11-4
Molecular Formula:
C7H8Cl3NO3
Molecular Weight:
260.5023
IUPAC Name:
2,2,2-trichloroethyl 2-oxopyrrolidine-1-carboxylate
InChI:
InChI=1S/C7H8Cl3NO3/c8-7(9,10)4-14-6(13)11-3-1-2-5(11)12/h1-4H2
InChI Key:
WKHNOTYNQIWIFD-UHFFFAOYSA-N
SMILES:
O=C1CCCN1C(=O)OCC(Cl)(Cl)Cl
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.957g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
260.495g/mol
Monoisotopic Mass:
258.957g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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