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1313872-55-7 | 1-Boc-3-[[(tert-butyl)sulfinyl]amino]-3-(4-bromophenyl)azetidine
CAS No: 1313872-55-7 Catalog No: AG01FLNU MDL No:
Product Description
Catalog Number:
AG01FLNU
Chemical Name:
1-Boc-3-[[(tert-butyl)sulfinyl]amino]-3-(4-bromophenyl)azetidine
CAS Number:
1313872-55-7
IUPAC Name:
tert-butyl 3-(4-bromophenyl)-3-(tert-butylsulfinylamino)azetidine-1-carboxylate
InChI:
InChI=1S/C18H27BrN2O3S/c1-16(2,3)24-15(22)21-11-18(12-21,20-25(23)17(4,5)6)13-7-9-14(19)10-8-13/h7-10,20H,11-12H2,1-6H3
InChI Key:
ABIAPEJNGNAKLM-UHFFFAOYSA-N
Properties
Complexity:
513
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
430.093g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
431.389g/mol
Monoisotopic Mass:
430.093g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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