| CAS Number | 1788041-68-8 |
| Catalog Number | AG00HZWI(AGN-PC-0WCXAR) |
| Chemical Name | 4,4,5,5-Tetrachlorospiro[2.2]pentane-1-carboxylic acid |
| IUPAC Name | 1,1,2,2-tetrachlorospiro[2.2]pentane-5-carboxylic acid |
| InChI | InChI=1S/C6H4Cl4O2/c7-5(8)4(6(5,9)10)1-2(4)3(11)12/h2H,1H2,(H,11,12) |
| InChI Key | OAXSBVCQAMQFKW-UHFFFAOYSA-N |
| MDL Number | MFCD28501578 |
| Molecular Formula | C6H4Cl4O2 |
| Molecular Weight | 249.9068 |
| SMILES | ClC1(C2(CC2C(=O)O)C1(Cl)Cl)Cl |
| Synonyms | 4,4,5,5-Tetrachlorospiro[2.2]pentane-1-carboxylic acid,
1788041-68-8,
KS-000005EW,
MFCD28501578,
FCH4125499,
AK171233,
AS-52317,
CS-0051126,
|
| Complexity | 259 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 249.894g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 249.896g/mol |
| Monoisotopic Mass | 247.897g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
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Hazard Class
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\N
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Hazard statements
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H302-H315-H319-H335
|
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Packing Group
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\N
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Precautionary statements
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P261-P305+P351+P338
|
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UN Code
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\N
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Certificate of Analysis
Lot Number