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1353952-69-8 | 3-Chloro-pyrrolidine-1-carboxylic acid benzyl ester
CAS No: 1353952-69-8 Catalog No: AG01F8RD MDL No:
Product Description
Catalog Number:
AG01F8RD
Chemical Name:
3-Chloro-pyrrolidine-1-carboxylic acid benzyl ester
CAS Number:
1353952-69-8
Molecular Formula:
C12H14ClNO2
Molecular Weight:
239.6981
IUPAC Name:
benzyl 3-chloropyrrolidine-1-carboxylate
InChI:
InChI=1S/C12H14ClNO2/c13-11-6-7-14(8-11)12(15)16-9-10-4-2-1-3-5-10/h1-5,11H,6-9H2
InChI Key:
QDJDFKNDEFPEIN-UHFFFAOYSA-N
SMILES:
ClC1CCN(C1)C(=O)OCc1ccccc1
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.071g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
239.699g/mol
Monoisotopic Mass:
239.071g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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