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3260-85-3 | 4-Chloro-1-methoxy-2-methylbenzene
CAS No: 3260-85-3 Catalog No: AG003L3S MDL No:MFCD00070771
Product Description
Catalog Number:
AG003L3S
Chemical Name:
4-Chloro-1-methoxy-2-methylbenzene
CAS Number:
3260-85-3
Molecular Formula:
C8H9ClO
Molecular Weight:
156.6095
MDL Number:
MFCD00070771
IUPAC Name:
4-chloro-1-methoxy-2-methylbenzene
InChI:
InChI=1S/C8H9ClO/c1-6-5-7(9)3-4-8(6)10-2/h3-5H,1-2H3
InChI Key:
VDYDAUQHTVCCBX-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1C)Cl
EC Number:
221-860-5
UNII:
7G3KQ2A26K
NSC Number:
300882
Properties
Complexity:
105
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.034g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
156.609g/mol
Monoisotopic Mass:
156.034g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
Literature
| Title | Journal |
|---|---|
| Orthogonal activation of the reengineered A3 adenosine receptor (neoceptor) using tailored nucleoside agonists. | Journal of medicinal chemistry 20060504 |
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