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890098-77-8 | 2-CYANO-3'-IODOBENZOPHENONE
CAS No: 890098-77-8 Catalog No: AG00444Q MDL No:
Product Description
Catalog Number:
AG00444Q
Chemical Name:
2-CYANO-3'-IODOBENZOPHENONE
CAS Number:
890098-77-8
Molecular Formula:
C14H8INO
Molecular Weight:
333.1239
IUPAC Name:
2-(3-iodobenzoyl)benzonitrile
InChI:
InChI=1S/C14H8INO/c15-12-6-3-5-10(8-12)14(17)13-7-2-1-4-11(13)9-16/h1-8H
InChI Key:
YAMSOGVCQNPOEI-UHFFFAOYSA-N
SMILES:
N#Cc1ccccc1C(=O)c1cccc(c1)I
Properties
Complexity:
332
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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