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4-Chlorothiobenzoic Acid S-Methyl Ester
[CAS# 5925-67-7]

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Identification
Name 4-Chlorothiobenzoic Acid S-Methyl Ester
Synonyms 5-Methyl-N-(3-Nitrophenyl)-2-Furancarboxamide; 5-Methyl-N-(3-Nitrophenyl)-2-Furamide; A0725/0033828
Molecular Structure CAS#: 5925-67-7, 4-Chlorothiobenzoic Acid S-Methyl Ester
Molecular Formula C12H10N2O4
Molecular Weight 246.22
CAS Registry Number 5925-67-7
SMILES C1=C([N+]([O-])=O)C=CC=C1NC(=O)C2=CC=C(O2)C
InChI 1S/C12H10N2O4/c1-8-5-6-11(18-8)12(15)13-9-3-2-4-10(7-9)14(16)17/h2-7H,1H3,(H,13,15)
InChIKey ZSIOUBJIZXVJPQ-UHFFFAOYSA-N
Properties
Density 1.374g/cm3 (Cal.)
Boiling point 311.093°C at 760 mmHg (Cal.)
Flash point 141.944°C (Cal.)
Market Analysis Reports
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