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1260616-94-1 | 1-Azetidinecarboxylic acid, 2-(2-chloroacetyl)-, 1,1-dimethylethyl ester, (2S)-
CAS No: 1260616-94-1 Catalog No: AG000QX3 MDL No:MFCD11975857
Product Description
Catalog Number:
AG000QX3
Chemical Name:
1-Azetidinecarboxylic acid, 2-(2-chloroacetyl)-, 1,1-dimethylethyl ester, (2S)-
CAS Number:
1260616-94-1
Molecular Formula:
C10H16ClNO3
Molecular Weight:
233.6919
MDL Number:
MFCD11975857
IUPAC Name:
tert-butyl (2S)-2-(2-chloroacetyl)azetidine-1-carboxylate
InChI:
InChI=1S/C10H16ClNO3/c1-10(2,3)15-9(14)12-5-4-7(12)8(13)6-11/h7H,4-6H2,1-3H3/t7-/m0/s1
InChI Key:
RITDKFINXLSZFM-ZETCQYMHSA-N
SMILES:
ClCC(=O)[C@@H]1CCN1C(=O)OC(C)(C)C
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
233.082g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
233.692g/mol
Monoisotopic Mass:
233.082g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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