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Home >> Chemical Listing >> Page 3112 >> 2-tert-butyl-5-nitro-1H-indole-7-carboxylic acid

2-tert-butyl-5-nitro-1H-indole-7-carboxylic acid
[CAS# 952664-99-2]

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CAS#: 952664-99-2
Product: 2-tert-butyl-5-nitro-1H-indole-7-carboxylic acid
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Identification
Name 2-tert-butyl-5-nitro-1H-indole-7-carboxylic acid
Synonyms 2-tert-butyl-5-nitro-1H-indole-7-carboxylic acid
Molecular Formula C13H14N2O4
Molecular Weight 262.26
CAS Registry Number 952664-99-2
SMILES CC(C)(C)c1cc2cc(cc(c2[nH]1)C(=O)O)[N+](=O)[O-]
InChI 1S/C13H14N2O4/c1-13(2,3)10-5-7-4-8(15(18)19)6-9(12(16)17)11(7)14-10/h4-6,14H,1-3H3,(H,16,17)
InChIKey ZXRVTTQBJADJPU-UHFFFAOYSA-N
Properties
Density 1.359g/cm3 (Cal.)
Boiling point 483.98°C at 760 mmHg (Cal.)
Flash point 246.503°C (Cal.)
Refractive index 1.65 (Cal.)
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