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4-{[(2-Bromo-5-Nitrobenzoyl)Carbamothioyl]Amino}Benzoic Acid
[CAS# 531517-33-6]

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CAS#: 531517-33-6
Product: 4-{[(2-Bromo-5-Nitrobenzoyl)Carbamothioyl]Amino}Benzoic Acid
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Identification
Name 4-{[(2-Bromo-5-Nitrobenzoyl)Carbamothioyl]Amino}Benzoic Acid
Molecular Structure CAS#: 531517-33-6, 4-{[(2-Bromo-5-Nitrobenzoyl)Carbamothioyl]Amino}Benzoic Acid
Molecular Formula C15H10BrN3O5S
Molecular Weight 424.23
CAS Registry Number 531517-33-6
SMILES O=C(c1cc(ccc1Br)[N+]([O-])=O)NC(=S)Nc2ccc(C(=O)O)cc2
InChI 1S/C15H10BrN3O5S/c16-12-6-5-10(19(23)24)7-11(12)13(20)18-15(25)17-9-3-1-8(2-4-9)14(21)22/h1-7H,(H,21,22)(H2,17,18,20,25)
InChIKey URFCKVKITRPIII-UHFFFAOYSA-N
Properties
Density 1.774g/cm3 (Cal.)
Refractive index 1.751 (Cal.)
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