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158771-11-0 | Benzaldehyde, 4-(2-chlorophenoxy)-
CAS No: 158771-11-0 Catalog No: AG001QV1 MDL No:MFCD07365210
Product Description
Catalog Number:
AG001QV1
Chemical Name:
Benzaldehyde, 4-(2-chlorophenoxy)-
CAS Number:
158771-11-0
Molecular Formula:
C13H9ClO2
Molecular Weight:
232.6624
MDL Number:
MFCD07365210
IUPAC Name:
4-(2-chlorophenoxy)benzaldehyde
InChI:
InChI=1S/C13H9ClO2/c14-12-3-1-2-4-13(12)16-11-7-5-10(9-15)6-8-11/h1-9H
InChI Key:
DXWBQHZLDLXBBO-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)Oc1ccccc1Cl
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.029g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.663g/mol
Monoisotopic Mass:
232.029g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
Literature
| Title | Journal |
|---|---|
| Novel 2-(2-(4-aryloxybenzylidene) hydrazinyl)benzothiazole derivatives as anti-tubercular agents. | Bioorganic & medicinal chemistry letters 20120101 |
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