7-Bromobenzodioxole-5-carboxylic Acid - CAS 66799-93-7
Catalog: |
BB033104 |
Product Name: |
7-Bromobenzodioxole-5-carboxylic Acid |
CAS: |
66799-93-7 |
Synonyms: |
7-bromo-1,3-benzodioxole-5-carboxylic acid; 7-bromo-1,3-benzodioxole-5-carboxylic acid |
IUPAC Name: | 7-bromo-1,3-benzodioxole-5-carboxylic acid |
Description: | 7-Bromobenzodioxole-5-carboxylic Acid (CAS# 66799-93-7) is a useful research chemical. |
Molecular Weight: | 245.03 |
Molecular Formula: | C8H5BrO4 |
Canonical SMILES: | C1OC2=C(O1)C(=CC(=C2)C(=O)O)Br |
InChI: | InChI=1S/C8H5BrO4/c9-5-1-4(8(10)11)2-6-7(5)13-3-12-6/h1-2H,3H2,(H,10,11) |
InChI Key: | HLQBEIBAXJNCPT-UHFFFAOYSA-N |
Boiling Point: | 373.6 ℃ at 760 mmHg |
Density: | 1.894 g/cm3 |
LogP: | 1.87600 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
TW-201908306-A | Heterocyclic compounds as ASK inhibitors and their applications | 20170718 |
WO-2019015559-A1 | HETEROCYCLIC COMPOUND AS ASK INHIBITOR AND USE THEREOF | 20170718 |
Complexity: | 220 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 243.93712 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 243.93712 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 55.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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