2-Bromo-3-chlorobenzoic Acid - CAS 56961-26-3
Catalog: |
BB029543 |
Product Name: |
2-Bromo-3-chlorobenzoic Acid |
CAS: |
56961-26-3 |
Synonyms: |
2-bromo-3-chlorobenzoic acid; 2-bromo-3-chlorobenzoic acid |
IUPAC Name: | 2-bromo-3-chlorobenzoic acid |
Description: | 2-Bromo-3-chlorobenzoic Acid (CAS# 56961-26-3) is a useful research chemical. |
Molecular Weight: | 235.46 |
Molecular Formula: | C7H4BrClO2 |
Canonical SMILES: | C1=CC(=C(C(=C1)Cl)Br)C(=O)O |
InChI: | InChI=1S/C7H4BrClO2/c8-6-4(7(10)11)2-1-3-5(6)9/h1-3H,(H,10,11) |
InChI Key: | SITHNMNGOHVILG-UHFFFAOYSA-N |
Boiling Point: | 330.4 °C at 760 mmHg |
Density: | 1.809 g/cm3 |
MDL: | MFCD00672931 |
LogP: | 2.80070 |
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 |
EP-3822268-A1 | Substituted hydantoinamides as adamts7 antagonists | 20191115 |
WO-2021094436-A1 | Substituted hydantoinamides as adamts7 antagonists | 20191115 |
US-2021078996-A1 | Hpk1 antagonists and uses thereof | 20190913 |
US-2021078997-A1 | SUBSTITUTED ISOINDOLIN-1-ONES AND 2,3-DIHYDRO-1H-PYRROL[3,4-c]PYRIDIN-1-ONES AS HPK1 ANTAGONISTS | 20190913 |
US-2021078998-A1 | SUBSTITUTED ISOINDOLIN-1-ONES AND 2,3-DIHYDRO-1H-PYRROLO[3,4-c]PYRIDIN-1-ONES AS HPK1 ANTAGONISTS | 20190913 |
Complexity: | 163 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 233.90832 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 233.90832 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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