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Home > Bromides > 2137546-27-9
2137546-27-9 | 3-(1-bromo-2,2,2-trifluoroethyl)oxane
CAS No: 2137546-27-9 Catalog No: AG01ELVT MDL No:MFCD31559487
Product Description
Catalog Number:
AG01ELVT
Chemical Name:
3-(1-bromo-2,2,2-trifluoroethyl)oxane
CAS Number:
2137546-27-9
Molecular Formula:
C7H10BrF3O
Molecular Weight:
247.0529
MDL Number:
MFCD31559487
IUPAC Name:
3-(1-bromo-2,2,2-trifluoroethyl)oxane
InChI:
InChI=1S/C7H10BrF3O/c8-6(7(9,10)11)5-2-1-3-12-4-5/h5-6H,1-4H2
InChI Key:
CMHLUSDQFBRQMT-UHFFFAOYSA-N
SMILES:
BrC(C(F)(F)F)C1CCCOC1
Properties
Complexity:
148
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.987g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.055g/mol
Monoisotopic Mass:
245.987g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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