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114140-77-1 | 3-Octen-2-one, 8-bromo-
CAS No: 114140-77-1 Catalog No: AG000ANY MDL No:
Product Description
Catalog Number:
AG000ANY
Chemical Name:
3-Octen-2-one, 8-bromo-
CAS Number:
114140-77-1
Molecular Formula:
C8H13BrO
Molecular Weight:
205.0922
IUPAC Name:
8-bromooct-3-en-2-one
InChI:
InChI=1S/C8H13BrO/c1-8(10)6-4-2-3-5-7-9/h4,6H,2-3,5,7H2,1H3
InChI Key:
KJPSIEBWLNCCKV-UHFFFAOYSA-N
SMILES:
CC(=O)C=CCCCCBr
Properties
Complexity:
118
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.015g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
205.095g/mol
Monoisotopic Mass:
204.015g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.1
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