3-Bromo-5-formylbenzoic Acid - CAS 398119-27-2
Catalog: |
BB055351 |
Product Name: |
3-Bromo-5-formylbenzoic Acid |
CAS: |
398119-27-2 |
Synonyms: |
3-Bromo-5-formylbenzoic Acid; 3-Formyl-5-bromobenzoic Acid; 5-Bromo-3-formylbenzoic Acid |
IUPAC Name: | 3-bromo-5-formylbenzoic acid |
Description: | 3-Bromo-5-formylbenzoic acid |
Molecular Weight: | 229.03 |
Molecular Formula: | C8H5BrO3 |
Canonical SMILES: | C1=C(C=C(C=C1C(=O)O)Br)C=O |
InChI: | InChI=1S/C8H5BrO3/c9-7-2-5(4-10)1-6(3-7)8(11)12/h1-4H,(H,11,12) |
InChI Key: | NQFXEXFUWOVHGW-UHFFFAOYSA-N |
GHS Hazard Statement: | H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021216592-A1 | Lox enzyme inhibiting methods and compositions | 20200421 |
WO-2019157417-A1 | Heterocyclic p2y14 receptor antagonists | 20180209 |
AU-2019218256-A1 | Heterocyclic P2Y14 receptor antagonists | 20180209 |
CN-111868036-A | Heterocyclic ring P2Y14Receptor antagonists | 20180209 |
EP-3749651-A1 | Heterocyclic p2y14 receptor antagonists | 20180209 |
US-2021047293-A1 | Heterocyclic p2y14 receptor antagonists | 20180209 |
JP-2021512898-A | Heterocyclic P2Y14 receptor antagonist | 20180209 |
EP-2875021-B1 | Beta amino acid derivatives as integrin antagonists | 20120718 |
US-2014038910-A1 | Beta Amino Acid Derivatives as Integrin Antagonists | 20120718 |
US-9085606-B2 | Beta amino acid derivatives as integrin antagonists | 20120718 |
Complexity: | 193 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 227.94221 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 227.94221 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 54.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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