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1353970-99-6 | 1-(3-Iodo-pyrrolidin-1-yl)-ethanone
CAS No: 1353970-99-6 Catalog No: AG00AAP4 MDL No:MFCD21097876
Product Description
Catalog Number:
AG00AAP4
Chemical Name:
1-(3-Iodo-pyrrolidin-1-yl)-ethanone
CAS Number:
1353970-99-6
Molecular Formula:
C6H10INO
Molecular Weight:
239.0542
MDL Number:
MFCD21097876
IUPAC Name:
1-(3-iodopyrrolidin-1-yl)ethanone
InChI:
InChI=1S/C6H10INO/c1-5(9)8-3-2-6(7)4-8/h6H,2-4H2,1H3
InChI Key:
AJCWBWLVIQIHHI-UHFFFAOYSA-N
SMILES:
IC1CCN(C1)C(=O)C
Properties
Complexity:
126
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.981g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
239.056g/mol
Monoisotopic Mass:
238.981g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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