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918334-64-2 | Benzamide, N-(2-iodophenyl)-N-2-propyn-1-yl-
CAS No: 918334-64-2 Catalog No: AG006SZL MDL No:
Product Description
Catalog Number:
AG006SZL
Chemical Name:
Benzamide, N-(2-iodophenyl)-N-2-propyn-1-yl-
CAS Number:
918334-64-2
Molecular Formula:
C16H12INO
Molecular Weight:
361.1771
IUPAC Name:
N-(2-iodophenyl)-N-prop-2-ynylbenzamide
InChI:
InChI=1S/C16H12INO/c1-2-12-18(15-11-7-6-10-14(15)17)16(19)13-8-4-3-5-9-13/h1,3-11H,12H2
InChI Key:
XRBLPIMNGJLQCS-UHFFFAOYSA-N
SMILES:
C#CCN(c1ccccc1I)C(=O)c1ccccc1
Properties
Complexity:
353
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
360.996g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
361.182g/mol
Monoisotopic Mass:
360.996g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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