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63167-28-2 | 3-(bromomethyl)-5-fluorobenzo[d]isoxazole
CAS No: 63167-28-2 Catalog No: AG01FLSE MDL No:MFCD28681106
Product Description
Catalog Number:
AG01FLSE
Chemical Name:
3-(bromomethyl)-5-fluorobenzo[d]isoxazole
CAS Number:
63167-28-2
Molecular Formula:
C8H5BrFNO
Molecular Weight:
230.0338
MDL Number:
MFCD28681106
IUPAC Name:
3-(bromomethyl)-5-fluoro-1,2-benzoxazole
InChI:
InChI=1S/C8H5BrFNO/c9-4-7-6-3-5(10)1-2-8(6)12-11-7/h1-3H,4H2
InChI Key:
QOGUIHQSEHKCRZ-UHFFFAOYSA-N
SMILES:
Fc1cc2c(CBr)noc2cc1
Properties
Complexity:
169
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.954g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
230.036g/mol
Monoisotopic Mass:
228.954g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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