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3-Methylbenzyl 4-Nitrobenzoate
[CAS# 53218-08-9]

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CAS#: 53218-08-9
Product: 3-Methylbenzyl 4-Nitrobenzoate
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Identification
Name 3-Methylbenzyl 4-Nitrobenzoate
Synonyms ZINC05967081
Molecular Structure CAS#: 53218-08-9, 3-Methylbenzyl 4-Nitrobenzoate
Molecular Formula C15H13NO4
Molecular Weight 271.27
CAS Registry Number 53218-08-9
SMILES CC1=CC(=CC=C1)COC(=O)C2=CC=C(C=C2)[N+](=O)[O-]
InChI 1S/C15H13NO4/c1-11-3-2-4-12(9-11)10-20-15(17)13-5-7-14(8-6-13)16(18)19/h2-9H,10H2,1H3
InChIKey NKSJKDPWIBQVNS-UHFFFAOYSA-N
Properties
Density 1.3±0.1g/cm3 (Cal.)
Boiling point 431.4±33.0°C at 760 mmHg (Cal.)
Flash point 187.6±27.4°C (Cal.)
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List of Reports Available for 3-Methylbenzyl 4-Nitrobenzoate
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