| CAS Number | 193202-37-8 |
| Catalog Number | AG003S8U(AGN-PC-0QLVDY) |
| Chemical Name | N-(2-CArboxy-4,5-dichlorobenzoyl)-(-)-10,2-camphorsultam |
| IUPAC Name | 4,5-dichloro-2-(10,10-dimethyl-3,3-dioxo-3λ6-thia-4-azatricyclo[5.2.1.01,5]decane-4-carbonyl)benzoic acid |
| InChI | InChI=1S/C18H19Cl2NO5S/c1-17(2)9-3-4-18(17)8-27(25,26)21(14(18)5-9)15(22)10-6-12(19)13(20)7-11(10)16(23)24/h6-7,9,14H,3-5,8H2,1-2H3,(H,23,24) |
| InChI Key | RFABDSDXSYNRJG-UHFFFAOYSA-N |
| MDL Number | MFCD04117914 |
| Molecular Formula | C18H19Cl2NO5S |
| Molecular Weight | 432.3182 |
| SMILES | [H][C@@]12CC[C@@]3(C2(C)C)CS(=O)(N([C@@]3(C1)[H])C(C4=C(C(O)=O)C=C(C(Cl)=C4)Cl)=O)=O |
| Synonyms | 193202-37-8,
N-(2-Carboxy-4,5-dichlorobenzoyl)-(-)-10,2-camphorsultam,
N-(2-Carboxy-4,5-dichlorobenzoyl)-(+)-10,2-camphorsultam,
SCHEMBL15903688,
DTXSID70659882,
MFCD04117914,
C1683,
C1767,
4,5-Dichloro-2-(8,8-dimethyl-2,2-dioxohexahydro-3a,6-methano-2lambda~6~-2lambda~6~,1-benzothiazole-1(4H)-carbonyl)benzoic acid,
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| Complexity | 794 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 431.036g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 27 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 432.312g/mol |
| Monoisotopic Mass | 431.036g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 100A^2 |
| Undefined Atom Stereocenter Count | 3 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P280-P301+P312-P302+P352-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number