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1443336-47-7 | 5-Bromo-2-[2-(1,3-dioxolan-2-yl)ethoxy]benzaldehyde
CAS No: 1443336-47-7 Catalog No: AG01F8TN MDL No:
Product Description
Catalog Number:
AG01F8TN
Chemical Name:
5-Bromo-2-[2-(1,3-dioxolan-2-yl)ethoxy]benzaldehyde
CAS Number:
1443336-47-7
Molecular Formula:
C12H13BrO4
Molecular Weight:
301.1332
IUPAC Name:
5-bromo-2-[2-(1,3-dioxolan-2-yl)ethoxy]benzaldehyde
InChI:
InChI=1S/C12H13BrO4/c13-10-1-2-11(9(7-10)8-14)15-4-3-12-16-5-6-17-12/h1-2,7-8,12H,3-6H2
InChI Key:
GHYNSANSLNYNMX-UHFFFAOYSA-N
SMILES:
O=Cc1cc(Br)ccc1OCCC1OCCO1
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
301.136g/mol
Monoisotopic Mass:
300g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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