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Home > Bromides > 1226808-75-8
1226808-75-8 | 1,3-Benzodioxole, 5-bromo-4-fluoro-
CAS No: 1226808-75-8 Catalog No: AG0017MY MDL No:MFCD16295053
Product Description
Catalog Number:
AG0017MY
Chemical Name:
1,3-Benzodioxole, 5-bromo-4-fluoro-
CAS Number:
1226808-75-8
Molecular Formula:
C7H4BrFO2
Molecular Weight:
219.0079
MDL Number:
MFCD16295053
IUPAC Name:
5-bromo-4-fluoro-1,3-benzodioxole
InChI:
InChI=1S/C7H4BrFO2/c8-4-1-2-5-7(6(4)9)11-3-10-5/h1-2H,3H2
InChI Key:
FMEWVPPYMHXEGT-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1F)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
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