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4-[(4-Chlorophenyl)Sulfanyl]-3-Nitrobenzoic Acid
[CAS# 156629-59-3]

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Identification
Name 4-[(4-Chlorophenyl)Sulfanyl]-3-Nitrobenzoic Acid
Synonyms 4-(4-Chloro-phenylsulfanyl)-3-nitro-benzoic acid; 4-(4-chlorophenylthio)-3-nitrobenzoic acid
Molecular Structure CAS#: 156629-59-3, 4-[(4-Chlorophenyl)Sulfanyl]-3-Nitrobenzoic Acid
Molecular Formula C13H8ClNO4S
Molecular Weight 309.72
CAS Registry Number 156629-59-3
SMILES Clc2ccc(Sc1ccc(C(=O)O)cc1[N+]([O-])=O)cc2
InChI 1S/C13H8ClNO4S/c14-9-2-4-10(5-3-9)20-12-6-1-8(13(16)17)7-11(12)15(18)19/h1-7H,(H,16,17)
InChIKey YXJBPPSCOPYQHY-UHFFFAOYSA-N
Properties
Density 1.568g/cm3 (Cal.)
Melting point 231-233°C (Expl.)
Boiling point 487.915°C at 760 mmHg (Cal.)
Flash point 248.882°C (Cal.)
Refractive index 1.703 (Cal.)
Market Analysis Reports
List of Reports Available for 4-[(4-Chlorophenyl)Sulfanyl]-3-Nitrobenzoic Acid
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