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4-Tert-Butyl-3-Nitrobenzoic Acid
[CAS# 59719-78-7]

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Identification
Name 4-Tert-Butyl-3-Nitrobenzoic Acid
Synonyms 4-Tert-Butyl-3-Nitro-Benzoate; Zinc00173340
Molecular Structure CAS#: 59719-78-7, 4-Tert-Butyl-3-Nitrobenzoic Acid
Molecular Formula C11H12NO4
Molecular Weight 222.22
CAS Registry Number 59719-78-7
SMILES C1=CC(=CC(=C1C(C)(C)C)[N+](=O)[O-])C(=O)[O-]
InChI 1S/C11H13NO4/c1-11(2,3)8-5-4-7(10(13)14)6-9(8)12(15)16/h4-6H,1-3H3,(H,13,14)/p-1
InChIKey QIHHYQWNYKOHEV-UHFFFAOYSA-M
Properties
Boiling point 357.671°C at 760 mmHg (Cal.)
Flash point 151.865°C (Cal.)
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