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861086-27-3 | 1-(2-bromo-4,6-dimethoxyphenyl)ethan-1-one
CAS No: 861086-27-3 Catalog No: AG01EL92 MDL No:MFCD23827948
Product Description
Catalog Number:
AG01EL92
Chemical Name:
1-(2-bromo-4,6-dimethoxyphenyl)ethan-1-one
CAS Number:
861086-27-3
Molecular Formula:
C10H11BrO3
Molecular Weight:
259.0965
MDL Number:
MFCD23827948
IUPAC Name:
1-(2-bromo-4,6-dimethoxyphenyl)ethanone
InChI:
InChI=1S/C10H11BrO3/c1-6(12)10-8(11)4-7(13-2)5-9(10)14-3/h4-5H,1-3H3
InChI Key:
MLWMXAPTHOLHOE-UHFFFAOYSA-N
SMILES:
COc1cc(OC)cc(c1C(=O)C)Br
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.989g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
259.099g/mol
Monoisotopic Mass:
257.989g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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