7-Bromo-2,8-dimethylquinoline-3-carboxylic acid - CAS 1189106-92-0
Catalog: |
BB004337 |
Product Name: |
7-Bromo-2,8-dimethylquinoline-3-carboxylic acid |
CAS: |
1189106-92-0 |
Synonyms: |
7-bromo-2,8-dimethylquinoline-3-carboxylic acid |
IUPAC Name: | 7-bromo-2,8-dimethylquinoline-3-carboxylic acid |
Description: | 7-Bromo-2,8-dimethylquinoline-3-carboxylic acid (CAS# 1189106-92-0) is a useful research chemical. |
Molecular Weight: | 280.12 |
Molecular Formula: | C12H10BrNO2 |
Canonical SMILES: | CC1=C(C=CC2=CC(=C(N=C12)C)C(=O)O)Br |
InChI: | InChI=1S/C12H10BrNO2/c1-6-10(13)4-3-8-5-9(12(15)16)7(2)14-11(6)8/h3-5H,1-2H3,(H,15,16) |
InChI Key: | WLPLPFSWQMZHOT-UHFFFAOYSA-N |
Purity: | 95 % |
LogP: | 3.31230 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] |
Precautionary Statement: | P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
TW-201922737-A | Spiro compound as a farnesol X receptor modulator | 20171101 |
Complexity: | 284 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 278.98949 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 278.98949 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 50.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.2 |
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