Methyl 5-(4-Nitrophenyl)isoxazole-3-carboxylate - CAS 487034-01-5
Catalog: |
BB026581 |
Product Name: |
Methyl 5-(4-Nitrophenyl)isoxazole-3-carboxylate |
CAS: |
487034-01-5 |
Synonyms: |
5-(4-nitrophenyl)-3-isoxazolecarboxylic acid methyl ester; methyl 5-(4-nitrophenyl)-1,2-oxazole-3-carboxylate |
IUPAC Name: | methyl 5-(4-nitrophenyl)-1,2-oxazole-3-carboxylate |
Description: | Methyl 5-(4-Nitrophenyl)isoxazole-3-carboxylate (CAS# 487034-01-5) is a useful research chemical. |
Molecular Weight: | 248.19 |
Molecular Formula: | C11H8N2O5 |
Canonical SMILES: | COC(=O)C1=NOC(=C1)C2=CC=C(C=C2)[N+](=O)[O-] |
InChI: | InChI=1S/C11H8N2O5/c1-17-11(14)9-6-10(18-12-9)7-2-4-8(5-3-7)13(15)16/h2-6H,1H3 |
InChI Key: | PORQPQFJPVHBLR-UHFFFAOYSA-N |
LogP: | 2.55960 |
Publication Number | Title | Priority Date |
WO-2019054430-A1 | AMIDE COMPOUND HAVING AROMATIC HETEROCYLCLE | 20170914 |
Complexity: | 322 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 248.04332136 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 248.04332136 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 98.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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