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864685-44-9 | Cyclobutanecarbonitrile,1-(3-iodophenyl)-
CAS No: 864685-44-9 Catalog No: AG004MQP MDL No:
Product Description
Catalog Number:
AG004MQP
Chemical Name:
Cyclobutanecarbonitrile,1-(3-iodophenyl)-
CAS Number:
864685-44-9
Molecular Formula:
C11H10IN
Molecular Weight:
283.1083
IUPAC Name:
1-(3-iodophenyl)cyclobutane-1-carbonitrile
InChI:
InChI=1S/C11H10IN/c12-10-4-1-3-9(7-10)11(8-13)5-2-6-11/h1,3-4,7H,2,5-6H2
InChI Key:
BVYQQMMIEIELOM-UHFFFAOYSA-N
SMILES:
N#CC1(CCC1)c1cccc(c1)I
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.986g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
283.112g/mol
Monoisotopic Mass:
282.986g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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