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1443343-37-0 | 5-Bromo-2-[2-(1,3-dioxan-2-yl)ethoxy]benzaldehyde
CAS No: 1443343-37-0 Catalog No: AG01F9BZ MDL No:
Product Description
Catalog Number:
AG01F9BZ
Chemical Name:
5-Bromo-2-[2-(1,3-dioxan-2-yl)ethoxy]benzaldehyde
CAS Number:
1443343-37-0
Molecular Formula:
C13H15BrO4
Molecular Weight:
315.1598
IUPAC Name:
5-bromo-2-[2-(1,3-dioxan-2-yl)ethoxy]benzaldehyde
InChI:
InChI=1S/C13H15BrO4/c14-11-2-3-12(10(8-11)9-15)16-7-4-13-17-5-1-6-18-13/h2-3,8-9,13H,1,4-7H2
InChI Key:
SNRWOXJNHGYKNS-UHFFFAOYSA-N
SMILES:
O=Cc1cc(Br)ccc1OCCC1OCCCO1
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.015g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
315.163g/mol
Monoisotopic Mass:
314.015g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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