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13209-33-1 | 1,2-Benzenedicarboxaldehyde, 4,5-dichloro-
CAS No: 13209-33-1 Catalog No: AG001073 MDL No:
Product Description
Catalog Number:
AG001073
Chemical Name:
1,2-Benzenedicarboxaldehyde, 4,5-dichloro-
CAS Number:
13209-33-1
Molecular Formula:
C8H4Cl2O2
Molecular Weight:
203.0222
IUPAC Name:
4,5-dichlorophthalaldehyde
InChI:
InChI=1S/C8H4Cl2O2/c9-7-1-5(3-11)6(4-12)2-8(7)10/h1-4H
InChI Key:
UUAVOMUOLIKJHY-UHFFFAOYSA-N
SMILES:
O=Cc1cc(Cl)c(cc1C=O)Cl
Properties
Complexity:
164
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.959g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
203.018g/mol
Monoisotopic Mass:
201.959g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
Literature
| Title | Journal |
|---|---|
| The synthesis of analogs of shuangkangsu, a novel natural cycloperoxide glucoside from Lonicera japonica Thunb. | Journal of Asian natural products research 20090101 |
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