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2138064-47-6 | 3-bromo-5-(trifluoromethyl)furan-2-carbaldehyde
CAS No: 2138064-47-6 Catalog No: AG01EMD2 MDL No:MFCD31559424
Product Description
Catalog Number:
AG01EMD2
Chemical Name:
3-bromo-5-(trifluoromethyl)furan-2-carbaldehyde
CAS Number:
2138064-47-6
Molecular Formula:
C6H2BrF3O2
Molecular Weight:
242.9781
MDL Number:
MFCD31559424
IUPAC Name:
3-bromo-5-(trifluoromethyl)furan-2-carbaldehyde
InChI:
InChI=1S/C6H2BrF3O2/c7-3-1-5(6(8,9)10)12-4(3)2-11/h1-2H
InChI Key:
HIMNYMHXKFYMEM-UHFFFAOYSA-N
SMILES:
O=Cc1oc(cc1Br)C(F)(F)F
Properties
Complexity:
182
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.919g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
242.979g/mol
Monoisotopic Mass:
241.919g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
30.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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