3-Bromo-5-chlorobenzoic Acid - CAS 42860-02-6
Catalog: |
BB025253 |
Product Name: |
3-Bromo-5-chlorobenzoic Acid |
CAS: |
42860-02-6 |
Synonyms: |
3-bromo-5-chlorobenzoic acid; 3-bromo-5-chlorobenzoic acid |
IUPAC Name: | 3-bromo-5-chlorobenzoic acid |
Description: | 3-Bromo-5-chlorobenzoic Acid (CAS# 42860-02-6) is a useful research chemical. |
Molecular Weight: | 235.46 |
Molecular Formula: | C7H4BrClO2 |
Canonical SMILES: | C1=C(C=C(C=C1Cl)Br)C(=O)O |
InChI: | InChI=1S/C7H4BrClO2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3H,(H,10,11) |
InChI Key: | PBRRUJWXRUGGAW-UHFFFAOYSA-N |
Boiling Point: | 332 ℃ at 760 mmHg |
Density: | 1.809 g/cm3 |
MDL: | MFCD06797227 |
LogP: | 2.80070 |
GHS Hazard Statement: | H302 (20%): 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 |
WO-2020079198-A1 | Pesticidally active azole-amide compounds | 20181019 |
TW-202033512-A | Pesticidally active azole-amide compounds | 20181019 |
JP-2019116428-A | Triazine compound and organic electroluminescent device using the same | 20171226 |
JP-2019112341-A | Aryl triazine compounds and organic electroluminescent devices using the same | 20171222 |
EP-3470398-A1 | Organic electronic device comprising an organic semiconductor layer | 20171013 |
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: | 2.9 |
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