Home Halogens Boc-(R)-a-(2-bromo-benzyl)-proline

Boc-(R)-a-(2-bromo-benzyl)-proline

CAS No.:
706806-71-5
Catalog Number:
AG00FLAO
Molecular Formula:
C17H22BrNO4
Molecular Weight:
384.2649
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Product Description
Catalog Number:
AG00FLAO
Chemical Name:
Boc-(R)-a-(2-bromo-benzyl)-proline
CAS Number:
706806-71-5
Molecular Formula:
C17H22BrNO4
Molecular Weight:
384.2649
MDL Number:
MFCD06796761
IUPAC Name:
(2R)-2-[(2-bromophenyl)methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C17H22BrNO4/c1-16(2,3)23-15(22)19-10-6-9-17(19,14(20)21)11-12-7-4-5-8-13(12)18/h4-5,7-8H,6,9-11H2,1-3H3,(H,20,21)/t17-/m1/s1
InChI Key:
LRWBZPYAVUGRHS-QGZVFWFLSA-N
SMILES:
O=C(N1CCC[C@@]1(Cc1ccccc1Br)C(=O)O)OC(C)(C)C
Properties
Complexity:
462  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
383.073g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
384.27g/mol
Monoisotopic Mass:
383.073g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  
Properties