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Home > Bromides > 1246182-99-9
1246182-99-9 | (S)-1-Benzyl-3-bromo-pyrrolidine
CAS No: 1246182-99-9 Catalog No: AG01ER7P MDL No:
Product Description
Catalog Number:
AG01ER7P
Chemical Name:
(S)-1-Benzyl-3-bromo-pyrrolidine
CAS Number:
1246182-99-9
Molecular Formula:
C11H14BrN
Molecular Weight:
240.1396
IUPAC Name:
(3S)-1-benzyl-3-bromopyrrolidine
InChI:
InChI=1S/C11H14BrN/c12-11-6-7-13(9-11)8-10-4-2-1-3-5-10/h1-5,11H,6-9H2/t11-/m0/s1
InChI Key:
VOXJTPBOJBQGSL-NSHDSACASA-N
SMILES:
Br[C@H]1CCN(C1)Cc1ccccc1
Properties
Complexity:
154
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
239.031g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
240.144g/mol
Monoisotopic Mass:
239.031g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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