4'-Bromobiphenyl-3-carboxylic acid - CAS 885951-66-6
Catalog: |
BB039019 |
Product Name: |
4'-Bromobiphenyl-3-carboxylic acid |
CAS: |
885951-66-6 |
Synonyms: |
3-(4-bromophenyl)benzoic acid |
IUPAC Name: | 3-(4-bromophenyl)benzoic acid |
Description: | 4'-Bromobiphenyl-3-carboxylic acid (CAS# 885951-66-6) is a reagent used in the preparation of crown ether acyl derivatives with anticancer and antibacterial activity. |
Molecular Weight: | 277.11 |
Molecular Formula: | C13H9BrO2 |
Canonical SMILES: | C1=CC(=CC(=C1)C(=O)O)C2=CC=C(C=C2)Br |
InChI: | InChI=1S/C13H9BrO2/c14-12-6-4-9(5-7-12)10-2-1-3-11(8-10)13(15)16/h1-8H,(H,15,16) |
InChI Key: | IZEOXGJWZDXOEI-UHFFFAOYSA-N |
Purity: | 95 % |
LogP: | 3.81430 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P273, P280, P301+P312, P305+P351+P338, P330, P337+P313, P391, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-107406760-A | Luminescent material and organic electroluminescence device | 20150309 |
EP-3269789-A1 | Light emitting material and organic electroluminescent element | 20150309 |
JP-WO2016143589-A1 | Luminescent material and organic electroluminescence device | 20150309 |
KR-20170126986-A | A light emitting material and an organic electroluminescence element | 20150309 |
US-10559761-B2 | Light-emitting material, and organic electroluminescent device | 20150309 |
Complexity: | 246 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 275.97859 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 275.97859 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.3 |
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