5-Bromo-2-cyanobenzoic Acid - CAS 1032231-28-9
Catalog: |
BB001053 |
Product Name: |
5-Bromo-2-cyanobenzoic Acid |
CAS: |
1032231-28-9 |
Synonyms: |
5-bromo-2-cyanobenzoic acid; 5-bromo-2-cyanobenzoic acid |
IUPAC Name: | 5-bromo-2-cyanobenzoic acid |
Description: | 5-Bromo-2-cyanobenzoic Acid (CAS# 1032231-28-9) is a useful research chemical. |
Molecular Weight: | 226.03 |
Molecular Formula: | C8H4BrNO2 |
Canonical SMILES: | C1=CC(=C(C=C1Br)C(=O)O)C#N |
InChI: | InChI=1S/C8H4BrNO2/c9-6-2-1-5(4-10)7(3-6)8(11)12/h1-3H,(H,11,12) |
InChI Key: | HELBBGLIOALLAF-UHFFFAOYSA-N |
LogP: | 2.01898 |
Publication Number | Title | Priority Date |
EP-3426260-A1 | C-glycoside compounds useful for treating disease | 20160311 |
JP-2019508504-A | C-Glycoside Compounds Useful for the Treatment of Diseases | 20160311 |
US-2020002303-A1 | C-glycoside compounds useful for treating disease | 20160311 |
WO-2017156508-A1 | C-glycoside compounds useful for treating disease | 20160311 |
EP-3133071-A1 | C-aryl indican derivative, and pharmaceutical composition thereof, preparation method therefor and uses thereof | 20140414 |
Complexity: | 233 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 224.94254 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 224.94254 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 61.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Carbonyl Compounds
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS