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7306-46-9 | 4-(Chloromethyl)-1,2-dimethoxybenzene
CAS No: 7306-46-9 Catalog No: AG003II2 MDL No:MFCD00185554
Product Description
Catalog Number:
AG003II2
Chemical Name:
4-(Chloromethyl)-1,2-dimethoxybenzene
CAS Number:
7306-46-9
Molecular Formula:
C9H11ClO2
Molecular Weight:
186.6354
MDL Number:
MFCD00185554
IUPAC Name:
4-(chloromethyl)-1,2-dimethoxybenzene
InChI:
InChI=1S/C9H11ClO2/c1-11-8-4-3-7(6-10)5-9(8)12-2/h3-5H,6H2,1-2H3
InChI Key:
WWHJLVMBXXXUFO-UHFFFAOYSA-N
SMILES:
COc1cc(CCl)ccc1OC
EC Number:
230-756-9
Properties
Complexity:
130
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.045g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.635g/mol
Monoisotopic Mass:
186.045g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
Literature
| Title | Journal |
|---|---|
| Synthesis of carbon-11 labeled 1-(3,4-dimethoxybenzyl)-2,2-dimethyl-1,2,3,4-tetrahydroisoquinolinium derivatives as new potential PET SKCa channel imaging agents. | Applied radiation and isotopes : including data, instrumentation and methods for use in agriculture, industry and medicine 20080201 |
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