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898784-37-7 | 2-(3-CYANOPHENYL)-3'-IODOACETOPHENONE
CAS No: 898784-37-7 Catalog No: AG006IW8 MDL No:
Product Description
Catalog Number:
AG006IW8
Chemical Name:
2-(3-CYANOPHENYL)-3'-IODOACETOPHENONE
CAS Number:
898784-37-7
Molecular Formula:
C15H10INO
Molecular Weight:
347.1505
IUPAC Name:
3-[2-(3-iodophenyl)-2-oxoethyl]benzonitrile
InChI:
InChI=1S/C15H10INO/c16-14-6-2-5-13(9-14)15(18)8-11-3-1-4-12(7-11)10-17/h1-7,9H,8H2
InChI Key:
XIWIMEBDPZDOKP-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1)CC(=O)c1cccc(c1)I
Properties
Complexity:
346
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:
3.6
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