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1354015-88-5 | N-((S)-1-Benzyl-pyrrolidin-3-yl)-2-chloro-acetamide
CAS No: 1354015-88-5 Catalog No: AG01F8SH MDL No:
Product Description
Catalog Number:
AG01F8SH
Chemical Name:
N-((S)-1-Benzyl-pyrrolidin-3-yl)-2-chloro-acetamide
CAS Number:
1354015-88-5
Molecular Formula:
C13H17ClN2O
Molecular Weight:
252.7399
IUPAC Name:
N-[(3S)-1-benzylpyrrolidin-3-yl]-2-chloroacetamide
InChI:
InChI=1S/C13H17ClN2O/c14-8-13(17)15-12-6-7-16(10-12)9-11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H,15,17)/t12-/m0/s1
InChI Key:
HPBWRCHTSALJTF-LBPRGKRZSA-N
SMILES:
ClCC(=O)N[C@H]1CCN(C1)Cc1ccccc1
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
252.103g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
252.742g/mol
Monoisotopic Mass:
252.103g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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