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168317-99-5 | 1-[(4-Iodophenyl)carbonyl]pyrrolidine
CAS No: 168317-99-5 Catalog No: AG00HZ8B MDL No:MFCD00684252
Product Description
Catalog Number:
AG00HZ8B
Chemical Name:
1-[(4-Iodophenyl)carbonyl]pyrrolidine
CAS Number:
168317-99-5
Molecular Formula:
C11H12INO
Molecular Weight:
301.1235
MDL Number:
MFCD00684252
IUPAC Name:
(4-iodophenyl)-pyrrolidin-1-ylmethanone
InChI:
InChI=1S/C11H12INO/c12-10-5-3-9(4-6-10)11(14)13-7-1-2-8-13/h3-6H,1-2,7-8H2
InChI Key:
DJEYWACQKFNBFN-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)I)N1CCCC1
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.996g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
301.127g/mol
Monoisotopic Mass:
300.996g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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