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204654-94-4 | Benzene, 5-bromo-2-fluoro-1,3-dimethoxy-
CAS No: 204654-94-4 Catalog No: AG0029MF MDL No:MFCD28738436
Product Description
Catalog Number:
AG0029MF
Chemical Name:
Benzene, 5-bromo-2-fluoro-1,3-dimethoxy-
CAS Number:
204654-94-4
Molecular Formula:
C8H8BrFO2
Molecular Weight:
235.0503
MDL Number:
MFCD28738436
IUPAC Name:
5-bromo-2-fluoro-1,3-dimethoxybenzene
InChI:
InChI=1S/C8H8BrFO2/c1-11-6-3-5(9)4-7(12-2)8(6)10/h3-4H,1-2H3
InChI Key:
NIOXJRNKOHUWJD-UHFFFAOYSA-N
SMILES:
COc1cc(Br)cc(c1F)OC
Properties
Complexity:
131
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.969g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.052g/mol
Monoisotopic Mass:
233.969g/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
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