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3,5-Dibromo-2-{[(2-Chloro-5-Iodobenzoyl)Carbamothioyl]Amino}Benzoic Acid
[CAS# 530131-05-6]

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CAS#: 530131-05-6
Product: 3,5-Dibromo-2-{[(2-Chloro-5-Iodobenzoyl)Carbamothioyl]Amino}Benzoic Acid
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Identification
Name 3,5-Dibromo-2-{[(2-Chloro-5-Iodobenzoyl)Carbamothioyl]Amino}Benzoic Acid
Molecular Structure CAS#: 530131-05-6, 3,5-Dibromo-2-{[(2-Chloro-5-Iodobenzoyl)Carbamothioyl]Amino}Benzoic Acid
Molecular Formula C15H8Br2ClIN2O3S
Molecular Weight 618.47
CAS Registry Number 530131-05-6
SMILES Brc2cc(Br)cc(c2NC(=S)NC(=O)c1cc(I)ccc1Cl)C(=O)O
InChI 1S/C15H8Br2ClIN2O3S/c16-6-3-9(14(23)24)12(10(17)4-6)20-15(25)21-13(22)8-5-7(19)1-2-11(8)18/h1-5H,(H,23,24)(H2,20,21,22,25)
InChIKey DHPXHXBYNKOMSZ-UHFFFAOYSA-N
Properties
Density 2.228g/cm3 (Cal.)
Refractive index 1.78 (Cal.)
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