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70627-21-3 | 4-[(2-CHLOROBENZYL)OXY]BENZALDEHYDE
CAS No: 70627-21-3 Catalog No: AG005H7S MDL No:MFCD00621692
Product Description
Catalog Number:
AG005H7S
Chemical Name:
4-[(2-CHLOROBENZYL)OXY]BENZALDEHYDE
CAS Number:
70627-21-3
Molecular Formula:
C14H11ClO2
Molecular Weight:
246.6889
MDL Number:
MFCD00621692
IUPAC Name:
4-[(2-chlorophenyl)methoxy]benzaldehyde
InChI:
InChI=1S/C14H11ClO2/c15-14-4-2-1-3-12(14)10-17-13-7-5-11(9-16)6-8-13/h1-9H,10H2
InChI Key:
GPKGSRNVJGFHKL-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)OCc1ccccc1Cl
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.045g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.69g/mol
Monoisotopic Mass:
246.045g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
Literature
| Title | Journal |
|---|---|
| Synthesis and antimicrobial evaluation of L-phenylalanine-derived C5-substituted rhodanine and chalcone derivatives containing thiobarbituric acid or 2-thioxo-4-thiazolidinone. | European journal of medicinal chemistry 20121001 |
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