Home Halogens 4-bromo-5-fluoro-2�-1,3-benzodioxole

4-bromo-5-fluoro-2�-1,3-benzodioxole

CAS No.:
1427428-42-9
Catalog Number:
AG01BJKE
Molecular Formula:
C7H4BrFO2
Molecular Weight:
219.0079
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Product Description
Catalog Number:
AG01BJKE
Chemical Name:
4-bromo-5-fluoro-2�-1,3-benzodioxole
CAS Number:
1427428-42-9
Molecular Formula:
C7H4BrFO2
Molecular Weight:
219.0079
MDL Number:
MFCD23709713
IUPAC Name:
4-bromo-5-fluoro-1,3-benzodioxole
InChI:
InChI=1S/C7H4BrFO2/c8-6-4(9)1-2-5-7(6)11-3-10-5/h1-2H,3H2
InChI Key:
OHUWAUIJHDBDIT-UHFFFAOYSA-N
SMILES:
Fc1ccc2c(c1Br)OCO2
Properties
Complexity:
155  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.938g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
219.009g/mol
Monoisotopic Mass:
217.938g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties