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Home > Aldehydes > 111436-61-4
111436-61-4 | Benzaldehyde, 3-[4-(bromomethyl)phenoxy]-4-methoxy-
CAS No: 111436-61-4 Catalog No: AG0082AO MDL No:
Product Description
Catalog Number:
AG0082AO
Chemical Name:
Benzaldehyde, 3-[4-(bromomethyl)phenoxy]-4-methoxy-
CAS Number:
111436-61-4
Molecular Formula:
C15H13BrO3
Molecular Weight:
321.1659
IUPAC Name:
3-[4-(bromomethyl)phenoxy]-4-methoxybenzaldehyde
InChI:
InChI=1S/C15H13BrO3/c1-18-14-7-4-12(10-17)8-15(14)19-13-5-2-11(9-16)3-6-13/h2-8,10H,9H2,1H3
InChI Key:
ZHKWUTATNAYOKZ-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1Oc1ccc(cc1)CBr)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:
3.4
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