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2859-78-1 | Benzene, 4-bromo-1,2-dimethoxy-
CAS No: 2859-78-1 Catalog No: AG002VRN MDL No:MFCD00008381
Product Description
Catalog Number:
AG002VRN
Chemical Name:
Benzene, 4-bromo-1,2-dimethoxy-
CAS Number:
2859-78-1
Molecular Formula:
C8H9BrO2
Molecular Weight:
217.0599
MDL Number:
MFCD00008381
IUPAC Name:
4-bromo-1,2-dimethoxybenzene
InChI:
InChI=1S/C8H9BrO2/c1-10-7-4-3-6(9)5-8(7)11-2/h3-5H,1-2H3
InChI Key:
KBTMGSMZIKLAHN-UHFFFAOYSA-N
SMILES:
COc1cc(Br)ccc1OC
EC Number:
220-677-8
NSC Number:
36284
Properties
Complexity:
119
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.979g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
217.062g/mol
Monoisotopic Mass:
215.979g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
Literature
| Title | Journal |
|---|---|
| 1-Bromo-2-chloro-4,5-dimethoxy-benzene. | Acta crystallographica. Section E, Structure reports online 20100401 |
| 1-Bromo-2,3,6-trichloro-4,5-dimethoxy-benzene. | Acta crystallographica. Section E, Structure reports online 20100201 |
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