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1068604-40-9 | 3-bromo-5-((4-methoxybenzyl)oxy)benzaldehyde
CAS No: 1068604-40-9 Catalog No: AG01E66C MDL No:
Product Description
Catalog Number:
AG01E66C
Chemical Name:
3-bromo-5-((4-methoxybenzyl)oxy)benzaldehyde
CAS Number:
1068604-40-9
Molecular Formula:
C15H13BrO3
Molecular Weight:
321.1659
IUPAC Name:
3-bromo-5-[(4-methoxyphenyl)methoxy]benzaldehyde
InChI:
InChI=1S/C15H13BrO3/c1-18-14-4-2-11(3-5-14)10-19-15-7-12(9-17)6-13(16)8-15/h2-9H,10H2,1H3
InChI Key:
QPYRKCBGFURBSL-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)COc1cc(Br)cc(c1)C=O
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.005g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
321.17g/mol
Monoisotopic Mass:
320.005g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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