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87350-76-3 | Pyrrolidine, 1-(4-iodophenyl)-
CAS No: 87350-76-3 Catalog No: AG004O2L MDL No:
Product Description
Catalog Number:
AG004O2L
Chemical Name:
Pyrrolidine, 1-(4-iodophenyl)-
CAS Number:
87350-76-3
Molecular Formula:
C10H12IN
Molecular Weight:
273.1135
IUPAC Name:
1-(4-iodophenyl)pyrrolidine
InChI:
InChI=1S/C10H12IN/c11-9-3-5-10(6-4-9)12-7-1-2-8-12/h3-6H,1-2,7-8H2
InChI Key:
POYMFKJUYZDXAT-UHFFFAOYSA-N
SMILES:
Ic1ccc(cc1)N1CCCC1
Properties
Complexity:
135
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.001g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
273.117g/mol
Monoisotopic Mass:
273.001g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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