4-Bromo-3-chlorobenzoic acid - CAS 25118-59-6
Catalog: |
BB018751 |
Product Name: |
4-Bromo-3-chlorobenzoic acid |
CAS: |
25118-59-6 |
Synonyms: |
4-bromo-3-chlorobenzoic acid |
IUPAC Name: | 4-bromo-3-chlorobenzoic acid |
Description: | 4-Bromo-3-chlorobenzoic acid (CAS# 25118-59-6) is a useful research chemical. |
Molecular Weight: | 235.46 |
Molecular Formula: | C7H4BrClO2 |
Canonical SMILES: | C1=CC(=C(C=C1C(=O)O)Cl)Br |
InChI: | InChI=1S/C7H4BrClO2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,(H,10,11) |
InChI Key: | PSKJIHDVFDVNBU-UHFFFAOYSA-N |
Melting Point: | 220-224 °C |
Purity: | 98 % |
Appearance: | White to brown powder or crystals |
MDL: | MFCD08276864 |
LogP: | 2.80070 |
GHS Hazard Statement: | H301 (88.64%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P273, P280, P301+P310, P302+P352, P305+P351+P338, P321, P330, P332+P313, P337+P313, P362, P391, P405, and P501 |
Signal Word: | Danger |
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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: | 3.5 |
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