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646029-29-0 | Benzamide, 2-iodo-N-2-propenyl-N-1-propynyl-
CAS No: 646029-29-0 Catalog No: AG006TD4 MDL No:
Product Description
Catalog Number:
AG006TD4
Chemical Name:
Benzamide, 2-iodo-N-2-propenyl-N-1-propynyl-
CAS Number:
646029-29-0
Molecular Formula:
C13H12INO
Molecular Weight:
325.1449
IUPAC Name:
2-iodo-N-prop-2-enyl-N-prop-1-ynylbenzamide
InChI:
InChI=1S/C13H12INO/c1-3-9-15(10-4-2)13(16)11-7-5-6-8-12(11)14/h3,5-8H,1,9H2,2H3
InChI Key:
GXHYMGIPIZHQJG-UHFFFAOYSA-N
SMILES:
C=CCN(C(=O)c1ccccc1I)C#CC
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
324.996g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
325.149g/mol
Monoisotopic Mass:
324.996g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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