Methyl 3-formyl-4-nitrobenzoate - CAS 148625-35-8
Catalog: |
BB010326 |
Product Name: |
Methyl 3-formyl-4-nitrobenzoate |
CAS: |
148625-35-8 |
Synonyms: |
methyl 3-formyl-4-nitrobenzoate |
IUPAC Name: | methyl 3-formyl-4-nitrobenzoate |
Description: | Methyl 3-formyl-4-nitrobenzoate (CAS# 148625-35-8) is a useful research chemical. |
Molecular Weight: | 209.16 |
Molecular Formula: | C9H7NO5 |
Canonical SMILES: | COC(=O)C1=CC(=C(C=C1)[N+](=O)[O-])C=O |
InChI: | InChI=1S/C9H7NO5/c1-15-9(12)6-2-3-8(10(13)14)7(4-6)5-11/h2-5H,1H3 |
InChI Key: | JHFSCEMUDKRPID-UHFFFAOYSA-N |
Boiling Point: | 385.1 °C at 760 mmHg |
Melting Point: | 72-76 °C (lit.) |
Purity: | 95 % |
Density: | 1.386 g/cm3 |
MDL: | MFCD05664271 |
LogP: | 1.71710 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021127166-A1 | Inhibitors of enl/af9 yeats | 20191217 |
WO-2020182990-A1 | Fused ring pyrimidone derivatives for use in the treatment of hbv infection or of hbv-induced diseases | 20190314 |
WO-2020132549-A1 | Sting heterocycle agonists and uses thereof | 20181221 |
WO-2020123482-A1 | Small molecule inhibition of sulfotransferase sult1a3 | 20181210 |
EP-3478324-A1 | Antibody-drug conjugates and therapeutic methods using the same | 20160701 |
Complexity: | 272 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 209.03242232 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 209.03242232 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 89.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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