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20469-65-2 | Benzene, 1-bromo-3,5-dimethoxy-
CAS No: 20469-65-2 Catalog No: AG0029NE MDL No:MFCD06200685
Product Description
Catalog Number:
AG0029NE
Chemical Name:
Benzene, 1-bromo-3,5-dimethoxy-
CAS Number:
20469-65-2
Molecular Formula:
C8H9BrO2
Molecular Weight:
217.0599
MDL Number:
MFCD06200685
IUPAC Name:
1-bromo-3,5-dimethoxybenzene
InChI:
InChI=1S/C8H9BrO2/c1-10-7-3-6(9)4-8(5-7)11-2/h3-5H,1-2H3
InChI Key:
KRWRFIMBWRVMKE-UHFFFAOYSA-N
SMILES:
COc1cc(OC)cc(c1)Br
Properties
Complexity:
107
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:
2.7
Literature
| Title | Journal |
|---|---|
| Total synthesis of alternariol. | The Journal of organic chemistry 20050415 |
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