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34098-18-5 | Benzaldehyde,3-chloro-4,5-dihydroxy-
CAS No: 34098-18-5 Catalog No: AG007HCD MDL No:MFCD06380366
Product Description
Catalog Number:
AG007HCD
Chemical Name:
Benzaldehyde,3-chloro-4,5-dihydroxy-
CAS Number:
34098-18-5
Molecular Formula:
C7H5ClO3
Molecular Weight:
172.5658
MDL Number:
MFCD06380366
IUPAC Name:
3-chloro-4,5-dihydroxybenzaldehyde
InChI:
InChI=1S/C7H5ClO3/c8-5-1-4(3-9)2-6(10)7(5)11/h1-3,10-11H
InChI Key:
RNNPYEYJHJEDLU-UHFFFAOYSA-N
SMILES:
O=Cc1cc(O)c(c(c1)Cl)O
Properties
Complexity:
151
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.993g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
172.564g/mol
Monoisotopic Mass:
171.993g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
Literature
| Title | Journal |
|---|---|
| Redox potentials, laccase oxidation, and antilarval activities of substituted phenols. | Bioorganic & medicinal chemistry 20120301 |
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