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26627-16-7 | Benzene, 2,4-dibromo-1-(2-propyn-1-yloxy)-
CAS No: 26627-16-7 Catalog No: AG002TVU MDL No:
Product Description
Catalog Number:
AG002TVU
Chemical Name:
Benzene, 2,4-dibromo-1-(2-propyn-1-yloxy)-
CAS Number:
26627-16-7
Molecular Formula:
C9H6Br2O
Molecular Weight:
289.9513
IUPAC Name:
2,4-dibromo-1-prop-2-ynoxybenzene
InChI:
InChI=1S/C9H6Br2O/c1-2-5-12-9-4-3-7(10)6-8(9)11/h1,3-4,6H,5H2
InChI Key:
HPFPKBMYRYMEAB-UHFFFAOYSA-N
SMILES:
C#CCOc1ccc(cc1Br)Br
Properties
Complexity:
184
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.876g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
289.954g/mol
Monoisotopic Mass:
287.879g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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