1-(3-Bromophenyl)cyclobutanecarboxylic Acid - CAS 926261-31-6
Catalog: |
BB040585 |
Product Name: |
1-(3-Bromophenyl)cyclobutanecarboxylic Acid |
CAS: |
926261-31-6 |
Synonyms: |
1-(3-bromophenyl)-1-cyclobutanecarboxylic acid; 1-(3-bromophenyl)cyclobutane-1-carboxylic acid |
IUPAC Name: | 1-(3-bromophenyl)cyclobutane-1-carboxylic acid |
Description: | 1-(3-Bromophenyl)cyclobutanecarboxylic Acid (CAS# 926261-31-6) is a useful research chemical. |
Molecular Weight: | 255.11 |
Molecular Formula: | C11H11BrO2 |
Canonical SMILES: | C1CC(C1)(C2=CC(=CC=C2)Br)C(=O)O |
InChI: | InChI=1S/C11H11BrO2/c12-9-4-1-3-8(7-9)11(10(13)14)5-2-6-11/h1,3-4,7H,2,5-6H2,(H,13,14) |
InChI Key: | VCJRGYDROYTPHN-UHFFFAOYSA-N |
MDL: | MFCD08443228 |
LogP: | 2.95540 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning 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+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
EP-3814331-A1 | Novel lxr modulators with bicyclic core moiety | 20180628 |
AU-2009244504-A1 | Urea compounds as gamma secretase modulators | 20080505 |
CA-2722606-A1 | Urea compounds as gamma secretase modulators | 20080505 |
EP-2300427-A1 | Urea compounds as gamma secretase modulators | 20080505 |
JP-2011520809-A | Urea compounds as gamma secretase modulators | 20080505 |
Complexity: | 235 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 253.99424 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 253.99424 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 37.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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