Home Halogens tert-Butyl 3-(4-bromophenyl)-3-hydroxyazetidine-1-carboxylate

tert-Butyl 3-(4-bromophenyl)-3-hydroxyazetidine-1-carboxylate

CAS No.:
1357614-50-6
Catalog Number:
AG009WOD
Molecular Formula:
C14H18BrNO3
Molecular Weight:
328.2016
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Product Description
Catalog Number:
AG009WOD
Chemical Name:
tert-Butyl 3-(4-bromophenyl)-3-hydroxyazetidine-1-carboxylate
CAS Number:
1357614-50-6
Molecular Formula:
C14H18BrNO3
Molecular Weight:
328.2016
MDL Number:
MFCD27922236
IUPAC Name:
tert-butyl 3-(4-bromophenyl)-3-hydroxyazetidine-1-carboxylate
InChI:
InChI=1S/C14H18BrNO3/c1-13(2,3)19-12(17)16-8-14(18,9-16)10-4-6-11(15)7-5-10/h4-7,18H,8-9H2,1-3H3
InChI Key:
XRLOWKAACZKDBK-UHFFFAOYSA-N
SMILES:
O=C(N1CC(C1)(O)c1ccc(cc1)Br)OC(C)(C)C
Properties
Complexity:
339  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
327.047g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
328.206g/mol
Monoisotopic Mass:
327.047g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties