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141095-78-5 | Ethanone, 2-bromo-1-(tetrahydro-2H-pyran-4-yl)-
CAS No: 141095-78-5 Catalog No: AG001FVX MDL No:MFCD11656452
Product Description
Catalog Number:
AG001FVX
Chemical Name:
Ethanone, 2-bromo-1-(tetrahydro-2H-pyran-4-yl)-
CAS Number:
141095-78-5
Molecular Formula:
C7H11BrO2
Molecular Weight:
207.0650
MDL Number:
MFCD11656452
IUPAC Name:
2-bromo-1-(oxan-4-yl)ethanone
InChI:
InChI=1S/C7H11BrO2/c8-5-7(9)6-1-3-10-4-2-6/h6H,1-5H2
InChI Key:
HYZSWXALTGLKSD-UHFFFAOYSA-N
SMILES:
BrCC(=O)C1CCOCC1
Properties
Complexity:
119
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.994g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
207.067g/mol
Monoisotopic Mass:
205.994g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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