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890098-67-6 | 4-CYANO-4'-IODOBENZOPHENONE
CAS No: 890098-67-6 Catalog No: AG0044RE MDL No:MFCD02260430
Product Description
Catalog Number:
AG0044RE
Chemical Name:
4-CYANO-4'-IODOBENZOPHENONE
CAS Number:
890098-67-6
Molecular Formula:
C14H8INO
Molecular Weight:
333.1239
MDL Number:
MFCD02260430
IUPAC Name:
4-(4-iodobenzoyl)benzonitrile
InChI:
InChI=1S/C14H8INO/c15-13-7-5-12(6-8-13)14(17)11-3-1-10(9-16)2-4-11/h1-8H
InChI Key:
VKAMNLLFHYBPLV-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)C(=O)c1ccc(cc1)I
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
332.965g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
333.128g/mol
Monoisotopic Mass:
332.965g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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