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916584-39-9

916584-39-9 | Methanone, (3-iodo-1-azulenyl)phenyl-

CAS No: 916584-39-9 Catalog No: AG006F6L MDL No:

Product Description

Catalog Number:
AG006F6L
Chemical Name:
Methanone, (3-iodo-1-azulenyl)phenyl-
CAS Number:
916584-39-9
Molecular Formula:
C17H11IO
Molecular Weight:
358.1731
IUPAC Name:
(3-iodoazulen-1-yl)-phenylmethanone
InChI:
InChI=1S/C17H11IO/c18-16-11-15(13-9-5-2-6-10-14(13)16)17(19)12-7-3-1-4-8-12/h1-11H
InChI Key:
ZMIAKCOIHOZAHX-UHFFFAOYSA-N
SMILES:
O=C(c1cc(c2c1ccccc2)I)c1ccccc1

Properties

Complexity:
321  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
357.985g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
358.178g/mol
Monoisotopic Mass:
357.985g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9  

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