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149555-96-4 | 2H-1-Benzopyran-2-one, 7-[(6-bromohexyl)oxy]-
CAS No: 149555-96-4 Catalog No: AG001LTI MDL No:
Product Description
Catalog Number:
AG001LTI
Chemical Name:
2H-1-Benzopyran-2-one, 7-[(6-bromohexyl)oxy]-
CAS Number:
149555-96-4
Molecular Formula:
C15H17BrO3
Molecular Weight:
325.1977
IUPAC Name:
7-(6-bromohexoxy)chromen-2-one
InChI:
InChI=1S/C15H17BrO3/c16-9-3-1-2-4-10-18-13-7-5-12-6-8-15(17)19-14(12)11-13/h5-8,11H,1-4,9-10H2
InChI Key:
XXDDEACWRJYAKV-UHFFFAOYSA-N
SMILES:
BrCCCCCCOc1ccc2c(c1)oc(=O)cc2
Properties
Complexity:
317
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
324.036g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
325.202g/mol
Monoisotopic Mass:
324.036g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
Literature
| Title | Journal |
|---|---|
| Polymerizable ionic liquid crystals. | Macromolecular rapid communications 20090917 |
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