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887593-66-0 | 1-Azetidinecarboxylicacid, 3-[(4-fluorophenyl)sulfonyl]-, 1,1-dimethylethyl ester
CAS No: 887593-66-0 Catalog No: AG004D9K MDL No:
Product Description
Catalog Number:
AG004D9K
Chemical Name:
1-Azetidinecarboxylicacid, 3-[(4-fluorophenyl)sulfonyl]-, 1,1-dimethylethyl ester
CAS Number:
887593-66-0
Molecular Formula:
C14H18FNO4S
Molecular Weight:
315.3604
IUPAC Name:
tert-butyl 3-(4-fluorophenyl)sulfonylazetidine-1-carboxylate
InChI:
InChI=1S/C14H18FNO4S/c1-14(2,3)20-13(17)16-8-12(9-16)21(18,19)11-6-4-10(15)5-7-11/h4-7,12H,8-9H2,1-3H3
InChI Key:
PBGXIMKODXATQR-UHFFFAOYSA-N
SMILES:
O=C(N1CC(C1)S(=O)(=O)c1ccc(cc1)F)OC(C)(C)C
Properties
Complexity:
480
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.094g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
315.359g/mol
Monoisotopic Mass:
315.094g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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