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79271-29-7 | N-Hexyl-2-iodobenzamide
CAS No: 79271-29-7 Catalog No: AG01FFJU MDL No:
Product Description
Catalog Number:
AG01FFJU
Chemical Name:
N-Hexyl-2-iodobenzamide
CAS Number:
79271-29-7
Molecular Formula:
C13H18INO
Molecular Weight:
331.1926
IUPAC Name:
N-hexyl-2-iodobenzamide
InChI:
InChI=1S/C13H18INO/c1-2-3-4-7-10-15-13(16)11-8-5-6-9-12(11)14/h5-6,8-9H,2-4,7,10H2,1H3,(H,15,16)
InChI Key:
QOMHWKKJSDWZHA-UHFFFAOYSA-N
SMILES:
CCCCCCNC(=O)c1ccccc1I
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.043g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
331.197g/mol
Monoisotopic Mass:
331.043g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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