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101538-89-0 | Benzamide, N-[cyano[(3-iodo-2-propyn-1-yl)oxy]methyl]-
CAS No: 101538-89-0 Catalog No: AG0004Q2 MDL No:
Product Description
Catalog Number:
AG0004Q2
Chemical Name:
Benzamide, N-[cyano[(3-iodo-2-propyn-1-yl)oxy]methyl]-
CAS Number:
101538-89-0
Molecular Formula:
C12H9IN2O2
Molecular Weight:
340.1165
IUPAC Name:
N-[cyano(3-iodoprop-2-ynoxy)methyl]benzamide
InChI:
InChI=1S/C12H9IN2O2/c13-7-4-8-17-11(9-14)15-12(16)10-5-2-1-3-6-10/h1-3,5-6,11H,8H2,(H,15,16)
InChI Key:
REBYREKCQWHMDA-UHFFFAOYSA-N
SMILES:
N#CC(NC(=O)c1ccccc1)OCC#CI
Properties
Complexity:
368
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
339.971g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
340.12g/mol
Monoisotopic Mass:
339.971g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
62.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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