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1353995-89-7 | (S)-3-Bromo-pyrrolidine-1-carboxylic acid benzyl ester
CAS No: 1353995-89-7 Catalog No: AG01ESO9 MDL No:
Product Description
Catalog Number:
AG01ESO9
Chemical Name:
(S)-3-Bromo-pyrrolidine-1-carboxylic acid benzyl ester
CAS Number:
1353995-89-7
Molecular Formula:
C12H14BrNO2
Molecular Weight:
284.1491
IUPAC Name:
benzyl (3S)-3-bromopyrrolidine-1-carboxylate
InChI:
InChI=1S/C12H14BrNO2/c13-11-6-7-14(8-11)12(15)16-9-10-4-2-1-3-5-10/h1-5,11H,6-9H2/t11-/m0/s1
InChI Key:
LWEKWWHCQBWMQC-NSHDSACASA-N
SMILES:
Br[C@H]1CCN(C1)C(=O)OCc1ccccc1
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
283.021g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
284.153g/mol
Monoisotopic Mass:
283.021g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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