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115-27-5 | 4,5,6,7,8,8-Hexachloro-3a,4,7,7a-tetrahydro-4,7-methanoisobenzofuran-1,3-dione
CAS No: 115-27-5 Catalog No: AG003DLK MDL No:MFCD00080438
Product Description
Catalog Number:
AG003DLK
Chemical Name:
4,5,6,7,8,8-Hexachloro-3a,4,7,7a-tetrahydro-4,7-methanoisobenzofuran-1,3-dione
CAS Number:
115-27-5
Molecular Formula:
C9H2Cl6O3
Molecular Weight:
370.8284
MDL Number:
MFCD00080438
IUPAC Name:
1,7,8,9,10,10-hexachloro-4-oxatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
InChI:
InChI=1S/C9H2Cl6O3/c10-3-4(11)8(13)2-1(5(16)18-6(2)17)7(3,12)9(8,14)15/h1-2H
InChI Key:
FLBJFXNAEMSXGL-UHFFFAOYSA-N
SMILES:
O=C1OC(=O)C2C1C1(Cl)C(=C(C2(C1(Cl)Cl)Cl)Cl)Cl
EC Number:
204-077-3
NSC Number:
22229
RTECS Number:
RB9080000
Properties
Complexity:
498
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
369.811g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
370.812g/mol
Monoisotopic Mass:
367.814g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
Literature
| Title | Journal |
|---|---|
| Occupational asthma: new low-molecular-weight causal agents, 2000-2010. | Journal of allergy 20120101 |
| 1,7,8,9,10,10-Hexachloro-4-(thio-phen-2-ylmeth-yl)-4-aza-tricyclo-[5.2.1.0]dec-8-ene-3,5-dione. | Acta crystallographica. Section E, Structure reports online 20110901 |
| 1,7,8,9,10,10-Hexachloro-4-(2-phenyl-eth-yl)-4-aza-tricyclo-[5.2.1.0]dec-8-ene-3,5-dione. | Acta crystallographica. Section E, Structure reports online 20110701 |
| Exposure to cyclic anhydrides in welding: a new allergen-chlorendic anhydride. | Applied occupational and environmental hygiene 20021101 |
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