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898784-29-7 | 2-(2-CYANOPHENYL)-2'-IODOACETOPHENONE
CAS No: 898784-29-7 Catalog No: AG00GW89 MDL No:
Product Description
Catalog Number:
AG00GW89
Chemical Name:
2-(2-CYANOPHENYL)-2'-IODOACETOPHENONE
CAS Number:
898784-29-7
Molecular Formula:
C15H10INO
Molecular Weight:
347.1505
IUPAC Name:
2-[2-(2-iodophenyl)-2-oxoethyl]benzonitrile
InChI:
InChI=1S/C15H10INO/c16-14-8-4-3-7-13(14)15(18)9-11-5-1-2-6-12(11)10-17/h1-8H,9H2
InChI Key:
LXHQVUGBMHXYSH-UHFFFAOYSA-N
SMILES:
N#Cc1ccccc1CC(=O)c1ccccc1I
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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