Methyl 3-Formyl-5-nitrobenzoate - CAS 172899-78-4
Catalog: |
BB012871 |
Product Name: |
Methyl 3-Formyl-5-nitrobenzoate |
CAS: |
172899-78-4 |
Synonyms: |
3-formyl-5-nitrobenzoic acid methyl ester; methyl 3-formyl-5-nitrobenzoate |
IUPAC Name: | methyl 3-formyl-5-nitrobenzoate |
Description: | Methyl 3-Formyl-5-nitrobenzoate (CAS# 172899-78-4) is a useful research chemical. |
Molecular Weight: | 209.16 |
Molecular Formula: | C9H7NO5 |
Canonical SMILES: | COC(=O)C1=CC(=CC(=C1)C=O)[N+](=O)[O-] |
InChI: | InChI=1S/C9H7NO5/c1-15-9(12)7-2-6(5-11)3-8(4-7)10(13)14/h2-5H,1H3 |
InChI Key: | VWRFFTKYHYLALS-UHFFFAOYSA-N |
Appearance: | Pale-yellow to yellow-brown solid |
LogP: | 1.71710 |
Publication Number | Title | Priority Date |
WO-2012019428-A1 | Benzohydrol derivatives, a preparation process and pharmaceutical use thereof | 20100810 |
CA-2462647-A1 | 6-membered unsaturated heterocyclic compounds useful for selective inhibition of the coagulation cascade | 20011003 |
EP-1448534-A1 | 6-membered unsaturated heterocyclic compounds useful for selective inhibition ofthe coagulation cascade | 20011003 |
JP-2005514332-A | 6-membered unsaturated heterocyclic compounds useful for selective inhibition of the coagulation cascade | 20011003 |
MX-PA04003167-A | INSETURED HETEROCICLIC COMPOUNDS OF 6 USEFUL MEMBERS FOR THE SELECTIVE INHIBITION OF THE COAGULATION WATERFALL. | 20011003 |
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 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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