5-Bromo-2-(carboxymethyl)benzoic Acid - CAS 19725-82-7
Catalog: |
BB015239 |
Product Name: |
5-Bromo-2-(carboxymethyl)benzoic Acid |
CAS: |
19725-82-7 |
Synonyms: |
5-bromo-2-(carboxymethyl)benzoic acid; 5-bromo-2-(carboxymethyl)benzoic acid |
IUPAC Name: | 5-bromo-2-(carboxymethyl)benzoic acid |
Description: | 5-Bromo-2-(carboxymethyl)benzoic Acid (CAS# 19725-82-7) is a useful research chemical. |
Molecular Weight: | 259.05 |
Molecular Formula: | C9H7BrO4 |
Canonical SMILES: | C1=CC(=C(C=C1Br)C(=O)O)CC(=O)O |
InChI: | InChI=1S/C9H7BrO4/c10-6-2-1-5(3-8(11)12)7(4-6)9(13)14/h1-2,4H,3H2,(H,11,12)(H,13,14) |
InChI Key: | VFYONOBJKYTLNC-UHFFFAOYSA-N |
LogP: | 1.77440 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-110408011-B | Binary diisoquinoline tetrone polymer and preparation method and application thereof | 20190823 |
EP-2639212-A1 | Enantioselective organic anhydride reactions | 20120313 |
EP-2639212-B1 | Enantioselective organic anhydride reactions | 20120313 |
US-2013245268-A1 | Enantioselective organic anhydride reactions | 20120313 |
US-9050586-B2 | Enantioselective organic anhydride reactions | 20120313 |
Complexity: | 241 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 257.95277 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 257.95277 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 74.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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