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40705-22-4 | 4-(Benzyloxy)-2-bromo-5-methoxybenzaldehyde
CAS No: 40705-22-4 Catalog No: AG0075HP MDL No:MFCD02192580
Product Description
Catalog Number:
AG0075HP
Chemical Name:
4-(Benzyloxy)-2-bromo-5-methoxybenzaldehyde
CAS Number:
40705-22-4
Molecular Formula:
C15H13BrO3
Molecular Weight:
321.1659
MDL Number:
MFCD02192580
IUPAC Name:
2-bromo-5-methoxy-4-phenylmethoxybenzaldehyde
InChI:
InChI=1S/C15H13BrO3/c1-18-14-7-12(9-17)13(16)8-15(14)19-10-11-5-3-2-4-6-11/h2-9H,10H2,1H3
InChI Key:
ACUCKKHSILFVIJ-UHFFFAOYSA-N
SMILES:
COc1cc(C=O)c(cc1OCc1ccccc1)Br
Properties
Complexity:
279
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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