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898784-43-5 | 2-(4-CYANOPHENYL)-4'-IODOACETOPHENONE
CAS No: 898784-43-5 Catalog No: AG00GXNM MDL No:MFCD02260746
Product Description
Catalog Number:
AG00GXNM
Chemical Name:
2-(4-CYANOPHENYL)-4'-IODOACETOPHENONE
CAS Number:
898784-43-5
Molecular Formula:
C15H10INO
Molecular Weight:
347.1505
MDL Number:
MFCD02260746
IUPAC Name:
4-[2-(4-iodophenyl)-2-oxoethyl]benzonitrile
InChI:
InChI=1S/C15H10INO/c16-14-7-5-13(6-8-14)15(18)9-11-1-3-12(10-17)4-2-11/h1-8H,9H2
InChI Key:
FCMOEXPCHJZSIG-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)CC(=O)c1ccc(cc1)I
Properties
Complexity:
330
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
346.981g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
347.155g/mol
Monoisotopic Mass:
346.981g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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