| CAS Number | 60912-82-5 |
| Catalog Number | AG00ECJY(AGN-PC-0SY26G) |
| Chemical Name | 2-chloro-1-(2,5-dihydroxyphenyl)ethan-1-one |
| IUPAC Name | 2-chloro-1-(2,5-dihydroxyphenyl)ethanone |
| InChI | InChI=1S/C8H7ClO3/c9-4-8(12)6-3-5(10)1-2-7(6)11/h1-3,10-11H,4H2 |
| InChI Key | LBQJAEBXOIEKLM-UHFFFAOYSA-N |
| MDL Number | MFCD12031571 |
| Molecular Formula | C8H7ClO3 |
| Molecular Weight | 186.5924 |
| SMILES | ClCC(=O)C1=C(C=CC(=C1)O)O |
| Synonyms | 60912-82-5,
2-CHLORO-1-(2,5-DIHYDROXYPHENYL)-ETHANONE,
2-chloro-1-(2,5-dihydroxyphenyl)ethanone,
2-chloro-2-5-dihydroxyacetophenone,
DTXSID90486016,
LBQJAEBXOIEKLM-UHFFFAOYSA-N,
Ethanone, 2-chloro-1-(2,5-dihydroxyphenyl)- (9CI),
|
| Complexity | 172 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 186.008g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 186.591g/mol |
| Monoisotopic Mass | 186.008g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 57.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
| Symbol: |   |
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Hazard Class
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6.1
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Hazard statements
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H301-H311-H331-H341
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Packing Group
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Ⅲ
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Precautionary statements
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P201-P202-P261-P264-P270-P271-P280-P302+P352-P304+P340-P308+P313-P310-P330-P361-P403+P233-P405-P501
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UN Code
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UN 2811
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Certificate of Analysis
Lot Number