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1017-64-7 | Pyrrolidine, 1-[3-(3-chlorophenyl)-2-propyn-1-yl]-
CAS No: 1017-64-7 Catalog No: AG000596 MDL No:
Product Description
Catalog Number:
AG000596
Chemical Name:
Pyrrolidine, 1-[3-(3-chlorophenyl)-2-propyn-1-yl]-
CAS Number:
1017-64-7
Molecular Formula:
C13H14ClN
Molecular Weight:
219.7100
IUPAC Name:
1-[3-(3-chlorophenyl)prop-2-ynyl]pyrrolidine
InChI:
InChI=1S/C13H14ClN/c14-13-7-3-5-12(11-13)6-4-10-15-8-1-2-9-15/h3,5,7,11H,1-2,8-10H2
InChI Key:
AOLWOBQUOPZVBU-UHFFFAOYSA-N
SMILES:
Clc1cccc(c1)C#CCN1CCCC1
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.081g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
219.712g/mol
Monoisotopic Mass:
219.081g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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