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| CAS No.: | 20788-07-2 |
|---|---|
| Name: | Resorantel |
| Article Data: | 4 |
| Molecular Structure: | |
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| Formula: | C13H10BrNO3 |
| Molecular Weight: | 308.131 |
| Synonyms: | g-Resorcylanilide, 4'-bromo-(8CI);2,6-Dihydroxybenzoic acid 4'-bromanilide;4'-Bromo-2,6-dihydroxybenzanilide;4'-Bromo-g-resorcylanilide;HOE 296V;Resorantel;Resorcylam;Terenol; |
| EINECS: | 244-040-9 |
| Density: | 1.699g/cm3 |
| Melting Point: | 229-230°; mp 183-186° (LeMaire) |
| Boiling Point: | 391.1°Cat760mmHg |
| Flash Point: | 190.4°C |
| PSA: | 69.56000 |
| LogP: | 3.18560 |
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Specification
The Resorantel with cas registry number of 20788-07-2, its system generated number is 0020788072. Its IUPAC name is N-(4-bromophenyl)-2,6-dihydroxybenzamide. And its systematic name are 4'-Bromo-gamma-resorcylanilide; Benzamide, N-(4-bromophenyl)-2,6-dihydroxy-; Resorantel.
Physical properties about this chemical are: (1)XLogP3-AA: 3.3; (2)H-Bond Donor: 3; (3)H-Bond Acceptor: 3; (4)Rotatable Bond Count: 2; (5)Tautomer Count: 12; (6)Exact Mass: 306.984406; (7)MonoIsotopic Mass: 306.984406; (8)Topological Polar Surface Area: 69.6; (9)Heavy Atom Count: 18; (10)Formal Charge: 0; (11)Complexity: 282; (12)Isotope Atom Count: 0; (13)Defined Atom StereoCenter Count: 0; (14)Undefined Atom StereoCenter Count: 0; (15)Defined Bond StereoCenter Count: 0; (16)Undefined Bond StereoCenter Count: 0; (17)Covalently-Bonded Unit Count: 1.
You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C13H10BrNO3/c14-8-4-6-9(7-5-8)15-13(18)12-10(16)2-1-3-11(12)17/h1-7,16-17H,(H,15,18);
(2)SMILES: Brc1ccc(cc1)NC(c1c(cccc1O)O)=O.