4,5-Dichloro-2-nitrophenylacetic Acid - CAS 37777-90-5
Catalog: |
BB023413 |
Product Name: |
4,5-Dichloro-2-nitrophenylacetic Acid |
CAS: |
37777-90-5 |
Synonyms: |
2-(4,5-dichloro-2-nitrophenyl)acetic acid; 2-(4,5-dichloro-2-nitrophenyl)acetic acid |
IUPAC Name: | 2-(4,5-dichloro-2-nitrophenyl)acetic acid |
Description: | 4,5-Dichloro-2-nitrophenylacetic Acid (CAS# 37777-90-5) is a useful research chemical. |
Molecular Weight: | 250.04 |
Molecular Formula: | C8H5Cl2NO4 |
Canonical SMILES: | C1=C(C(=CC(=C1Cl)Cl)[N+](=O)[O-])CC(=O)O |
InChI: | InChI=1S/C8H5Cl2NO4/c9-5-1-4(2-8(12)13)7(11(14)15)3-6(5)10/h1,3H,2H2,(H,12,13) |
InChI Key: | NIBVBDGBJQMRNF-UHFFFAOYSA-N |
Boiling Point: | 388 °C at 760 mmHg |
Density: | 1.638 g/cm3 |
MDL: | MFCD07366549 |
LogP: | 3.05190 |
Publication Number | Title | Priority Date |
AU-4442899-A | Kappa agonist compounds and pharmaceutical formulations thereof | 19980909 |
AU-746422-B2 | Kappa agonist compounds and pharmaceutical formulations thereof | 19980909 |
CA-2342994-A1 | Kappa agonist compounds and pharmaceutical formulations thereof | 19980909 |
EP-1112252-A1 | Kappa agonist compounds and pharmaceutical formulations thereof | 19980909 |
EP-1112252-A4 | KAPPA AGONIST COMPOUNDS AND PHARMACEUTICAL FORMULATIONS THEREOF | 19980909 |
Complexity: | 268 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 248.959563 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 248.959563 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 83.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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