2-[(4-Bromo-5-fluoro-2-nitrophenyl)amino]acetic Acid - CAS 170098-95-0
Catalog: |
BB012607 |
Product Name: |
2-[(4-Bromo-5-fluoro-2-nitrophenyl)amino]acetic Acid |
CAS: |
170098-95-0 |
Synonyms: |
2-(4-bromo-5-fluoro-2-nitroanilino)acetic acid; 2-(4-bromo-5-fluoro-2-nitroanilino)acetic acid |
IUPAC Name: | 2-(4-bromo-5-fluoro-2-nitroanilino)acetic acid |
Description: | 2-[(4-Bromo-5-fluoro-2-nitrophenyl)amino]acetic Acid (CAS# 170098-95-0 ) is a useful research chemical. |
Molecular Weight: | 293.05 |
Molecular Formula: | C8H6BrFN2O4 |
Canonical SMILES: | C1=C(C(=CC(=C1F)Br)[N+](=O)[O-])NCC(=O)O |
InChI: | InChI=1S/C8H6BrFN2O4/c9-4-1-7(12(15)16)6(2-5(4)10)11-3-8(13)14/h1-2,11H,3H2,(H,13,14) |
InChI Key: | QYPOZGPIHUAWQH-UHFFFAOYSA-N |
LogP: | 2.58910 |
Publication Number | Title | Priority Date |
AU-699353-B2 | Alkyl, azido, alkoxy, and fluoro-substituted and fused quinoxalinediones and the use thereof as glycine receptor antagonists | 19931105 |
EP-0732942-A1 | Alkyl, azido, alkoxy, and fluoro-substituted and fused quinoxalinediones and the use thereof as glycine receptor antagonists | 19931105 |
EP-0732942-A4 | ALKYL, AZIDO, ALCOXY AND FLUORO-CONDENSED AND SUBSTITUTED QUINOXALINEDIONES AND THEIR USE AS GLYCIN RECEPTOR ANTAGONISTS | 19931105 |
IL-111533-A | Quinoxalinedione derivatives and pharmaceutical compositions containing the same | 19931105 |
JP-4164547-B2 | Alkyl, azide, alkoxy and fluoro-substituted, fused quinoxalinediones and their use as glycine receptor antagonists | 19931105 |
Complexity: | 286 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 291.9495 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 291.9495 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 95.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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