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17515-77-4 | Furan, 2-(bromomethyl)-5-(trifluoromethyl)-
CAS No: 17515-77-4 Catalog No: AG0020D9 MDL No:MFCD03086219
Product Description
Catalog Number:
AG0020D9
Chemical Name:
Furan, 2-(bromomethyl)-5-(trifluoromethyl)-
CAS Number:
17515-77-4
Molecular Formula:
C6H4BrF3O
Molecular Weight:
228.9946
MDL Number:
MFCD03086219
IUPAC Name:
2-(bromomethyl)-5-(trifluoromethyl)furan
InChI:
InChI=1S/C6H4BrF3O/c7-3-4-1-2-5(11-4)6(8,9)10/h1-2H,3H2
InChI Key:
YNHVBNGRNNVEMD-UHFFFAOYSA-N
SMILES:
BrCc1ccc(o1)C(F)(F)F
Properties
Complexity:
136
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.94g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.996g/mol
Monoisotopic Mass:
227.94g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
13.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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