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920985-81-5 | 5-Hexynamide, N-(2-iodophenyl)-
CAS No: 920985-81-5 Catalog No: AG0066XR MDL No:
Product Description
Catalog Number:
AG0066XR
Chemical Name:
5-Hexynamide, N-(2-iodophenyl)-
CAS Number:
920985-81-5
Molecular Formula:
C12H12INO
Molecular Weight:
313.1343
IUPAC Name:
N-(2-iodophenyl)hex-5-ynamide
InChI:
InChI=1S/C12H12INO/c1-2-3-4-9-12(15)14-11-8-6-5-7-10(11)13/h1,5-8H,3-4,9H2,(H,14,15)
InChI Key:
GUGNDNIITJZGHS-UHFFFAOYSA-N
SMILES:
C#CCCCC(=O)Nc1ccccc1I
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.996g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
313.138g/mol
Monoisotopic Mass:
312.996g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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