4-Bromo-2-nitrophenylacetic Acid - CAS 6127-11-3
Catalog: |
BB031031 |
Product Name: |
4-Bromo-2-nitrophenylacetic Acid |
CAS: |
6127-11-3 |
Synonyms: |
2-(4-bromo-2-nitrophenyl)acetic acid; 2-(4-bromo-2-nitrophenyl)acetic acid |
IUPAC Name: | 2-(4-bromo-2-nitrophenyl)acetic acid |
Description: | 4-Bromo-2-nitrophenylacetic Acid (CAS# 6127-11-3) is used in the preparation and structure-activity relations of GNF-5837 derivatives, which are selective TRK inhibitors with efficacy in rodent cancer tumor models. |
Molecular Weight: | 260.04 |
Molecular Formula: | C8H6BrNO4 |
Canonical SMILES: | C1=CC(=C(C=C1Br)[N+](=O)[O-])CC(=O)O |
InChI: | InChI=1S/C8H6BrNO4/c9-6-2-1-5(3-8(11)12)7(4-6)10(13)14/h1-2,4H,3H2,(H,11,12) |
InChI Key: | LBZPHZBNFDOCCR-UHFFFAOYSA-N |
Boiling Point: | 392 ℃ at 760 mmHg |
Density: | 1.794 g/cm3 |
Appearance: | Light brown powder |
LogP: | 2.50760 |
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-2021081207-A1 | Glp-1r modulating compounds | 20191025 |
US-2021171499-A1 | Glp-1r modulating compounds | 20191025 |
AU-2015289897-B2 | Spirocycloheptanes as inhibitors of rock | 20140715 |
AU-2014290498-A1 | Aminomethyl-biaryl derivatives as complement Factor D inhibitors and uses thereof | 20130718 |
CA-2917614-A1 | Aminomethyl-biaryl derivatives complement factor d inhibitors and uses thereof | 20130718 |
Complexity: | 240 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 258.94802 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 258.94802 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 83.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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