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22445-41-6 | 5-Iodo-m-xylene
CAS No: 22445-41-6 Catalog No: AG0032SG MDL No:MFCD00060659
Product Description
Catalog Number:
AG0032SG
Chemical Name:
5-Iodo-m-xylene
CAS Number:
22445-41-6
Molecular Formula:
C8H9I
Molecular Weight:
232.0615
MDL Number:
MFCD00060659
IUPAC Name:
1-iodo-3,5-dimethylbenzene
InChI:
InChI=1S/C8H9I/c1-6-3-7(2)5-8(9)4-6/h3-5H,1-2H3
InChI Key:
ZLMKEENUYIUKKC-UHFFFAOYSA-N
SMILES:
Cc1cc(C)cc(c1)I
Properties
Complexity:
80.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.975g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.064g/mol
Monoisotopic Mass:
231.975g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
Literature
| Title | Journal |
|---|---|
| Photoinduced nitric oxide release from a nitrobenzene derivative in mitochondria. | Chemistry (Weinheim an der Bergstrasse, Germany) 20110418 |
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