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887593-56-8

887593-56-8 | 1-Azetidinecarboxylicacid, 3-[(3-bromophenyl)sulfonyl]-, 1,1-dimethylethyl ester

CAS No: 887593-56-8 Catalog No: AG004BIO MDL No:MFCD06657047

Product Description

Catalog Number:
AG004BIO
Chemical Name:
1-Azetidinecarboxylicacid, 3-[(3-bromophenyl)sulfonyl]-, 1,1-dimethylethyl ester
CAS Number:
887593-56-8
Molecular Formula:
C14H18BrNO4S
Molecular Weight:
376.2660
MDL Number:
MFCD06657047
IUPAC Name:
tert-butyl 3-(3-bromophenyl)sulfonylazetidine-1-carboxylate
InChI:
InChI=1S/C14H18BrNO4S/c1-14(2,3)20-13(17)16-8-12(9-16)21(18,19)11-6-4-5-10(15)7-11/h4-7,12H,8-9H2,1-3H3
InChI Key:
BUQVTVFDTYJIHX-UHFFFAOYSA-N
SMILES:
Brc1cccc(c1)S(=O)(=O)C1CN(C1)C(=O)OC(C)(C)C

Properties

Complexity:
488  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
375.014g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
376.265g/mol
Monoisotopic Mass:
375.014g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  

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