| CAS Number | 1261605-70-2 |
| Catalog Number | AG000RVF(AGN-PC-0WAOUK) |
| Chemical Name | Benzoic acid, 4-chloro-2-(trifluoromethoxy)- |
| IUPAC Name | 4-chloro-2-(trifluoromethoxy)benzoic acid |
| InChI | InChI=1S/C8H4ClF3O3/c9-4-1-2-5(7(13)14)6(3-4)15-8(10,11)12/h1-3H,(H,13,14) |
| InChI Key | SSORZLDIKSZDTH-UHFFFAOYSA-N |
| MDL Number | MFCD18393801 |
| Molecular Formula | C8H4ClF3O3 |
| Molecular Weight | 240.5638 |
| SMILES | O=C(O)C1=CC=C(Cl)C=C1OC(F)(F)F |
| Synonyms | 4-CHLORO-2-(TRIFLUOROMETHOXY)BENZOIC ACID,
1261605-70-2,
MFCD18393801,
CL9087,
ZINC91252028,
AKOS015957152,
FCH1723993,
AS-46205,
PC303076,
Benzoic acid, 4-chloro-2-(trifluoromethoxy)-,
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| Complexity | 244 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 239.98g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 240.562g/mol |
| Monoisotopic Mass | 239.98g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P280-P305+P351+P338-P304+P340-P405-P501
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UN Code
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Certificate of Analysis
Lot Number