4-Bromo-3-nitrophenylacetic Acid - CAS 1261603-30-8
Catalog: |
BB006513 |
Product Name: |
4-Bromo-3-nitrophenylacetic Acid |
CAS: |
1261603-30-8 |
Synonyms: |
2-(4-bromo-3-nitrophenyl)acetic acid; 2-(4-bromo-3-nitrophenyl)acetic acid |
IUPAC Name: | 2-(4-bromo-3-nitrophenyl)acetic acid |
Description: | 4-Bromo-3-nitrophenylacetic Acid (CAS# 1261603-30-8 ) is a useful research chemical. |
Molecular Weight: | 260.04 |
Molecular Formula: | C8H6BrNO4 |
Canonical SMILES: | C1=CC(=C(C=C1CC(=O)O)[N+](=O)[O-])Br |
InChI: | InChI=1S/C8H6BrNO4/c9-6-2-1-5(4-8(11)12)3-7(6)10(13)14/h1-3H,4H2,(H,11,12) |
InChI Key: | MLZLMIGRMVOYLK-UHFFFAOYSA-N |
Storage: | Sealed in dry, Room Temperature |
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 |
EP-3632898-A1 | Ep4 antagonist | 20170522 |
TW-201900613-A | EPî,¶ antagonist | 20170522 |
US-2021163466-A1 | Ep4 antagonist | 20170522 |
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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