3-Bromo-2-chlorobenzoic Acid - CAS 56961-27-4
Catalog: |
BB029544 |
Product Name: |
3-Bromo-2-chlorobenzoic Acid |
CAS: |
56961-27-4 |
Synonyms: |
3-bromo-2-chlorobenzoic acid; 3-bromo-2-chlorobenzoic acid |
IUPAC Name: | 3-bromo-2-chlorobenzoic acid |
Description: | 3-Bromo-2-chlorobenzoic Acid (CAS# 56961-27-4) is a useful research chemical. |
Molecular Weight: | 235.46 |
Molecular Formula: | C7H4BrClO2 |
Canonical SMILES: | C1=CC(=C(C(=C1)Br)Cl)C(=O)O |
InChI: | InChI=1S/C7H4BrClO2/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3H,(H,10,11) |
InChI Key: | LNURMIDMOXCNEH-UHFFFAOYSA-N |
Boiling Point: | 336.3 ℃ at 760 mmHg |
Density: | 1.809 g/cm3 |
MDL: | MFCD01569399 |
LogP: | 2.80070 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113461668-A | Novel biphenyl derivative, preparation method and medical application thereof | 20210430 |
CN-112979448-A | Preparation method of high-selectivity 5-bromo-2-chlorobenzoic acid | 20210301 |
EP-3848356-A1 | Aryl-n-aryl derivatives for treating a rna virus infection | 20200107 |
CN-113072551-A | Nitrogen-containing biphenyl derivative inhibitor, preparation method and application thereof | 20200103 |
WO-2021115286-A1 | Six-membered and five-membered aromatic ring derivative containing nitrogen heteroatoms which can be used as shp2 inhibitor | 20191210 |
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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