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Home > Aldehydes > 137214-62-1
137214-62-1 | Benzaldehyde, 2-bromo-3,5-dimethoxy-4-(phenylmethoxy)-
CAS No: 137214-62-1 Catalog No: AG0012YH MDL No:
Product Description
Catalog Number:
AG0012YH
Chemical Name:
Benzaldehyde, 2-bromo-3,5-dimethoxy-4-(phenylmethoxy)-
CAS Number:
137214-62-1
Molecular Formula:
C16H15BrO4
Molecular Weight:
351.1919
IUPAC Name:
2-bromo-3,5-dimethoxy-4-phenylmethoxybenzaldehyde
InChI:
InChI=1S/C16H15BrO4/c1-19-13-8-12(9-18)14(17)16(20-2)15(13)21-10-11-6-4-3-5-7-11/h3-9H,10H2,1-2H3
InChI Key:
ZYNIQODSLKISHN-UHFFFAOYSA-N
SMILES:
COc1cc(C=O)c(c(c1OCc1ccccc1)OC)Br
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
350.015g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
351.196g/mol
Monoisotopic Mass:
350.015g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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