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109686-67-1 | 1-Cyclohexene-1-carboxamide, N-(2-iodophenyl)-N-methyl-
CAS No: 109686-67-1 Catalog No: AG007AEJ MDL No:
Product Description
Catalog Number:
AG007AEJ
Chemical Name:
1-Cyclohexene-1-carboxamide, N-(2-iodophenyl)-N-methyl-
CAS Number:
109686-67-1
Molecular Formula:
C14H16INO
Molecular Weight:
341.1874
IUPAC Name:
N-(2-iodophenyl)-N-methylcyclohexene-1-carboxamide
InChI:
InChI=1S/C14H16INO/c1-16(13-10-6-5-9-12(13)15)14(17)11-7-3-2-4-8-11/h5-7,9-10H,2-4,8H2,1H3
InChI Key:
PNXSYUCWWFXBDY-UHFFFAOYSA-N
SMILES:
O=C(N(c1ccccc1I)C)C1=CCCCC1
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
341.028g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
341.192g/mol
Monoisotopic Mass:
341.028g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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