4-Bromo-2,5-dimethylbenzoic Acid - CAS 276677-03-3
Catalog: |
BB019634 |
Product Name: |
4-Bromo-2,5-dimethylbenzoic Acid |
CAS: |
276677-03-3 |
Synonyms: |
4-bromo-2,5-dimethylbenzoic acid; 4-bromo-2,5-dimethylbenzoic acid |
IUPAC Name: | 4-bromo-2,5-dimethylbenzoic acid |
Description: | 4-Bromo-2,5-dimethylbenzoic Acid (CAS# 276677-03-3) is a useful research chemical. |
Molecular Weight: | 229.07 |
Molecular Formula: | C9H9BrO2 |
Canonical SMILES: | CC1=CC(=C(C=C1C(=O)O)C)Br |
InChI: | InChI=1S/C9H9BrO2/c1-5-4-8(10)6(2)3-7(5)9(11)12/h3-4H,1-2H3,(H,11,12) |
InChI Key: | PYZYBJKFYYDWPH-UHFFFAOYSA-N |
LogP: | 2.76410 |
GHS Hazard Statement: | 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, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-109970551-B | Preparation method of o-methyl aryl formic acid derivative | 20190415 |
WO-2014164286-A1 | Dual sglt1/sglt2 inhibitors | 20130311 |
US-2015322002-A1 | N-substituted benzamides and methods of use thereof | 20120706 |
TW-201031624-A | Biaryl benzylamine derivatives | 20081223 |
US-2010168079-A1 | Biaryl Benzylamine Derivatives | 20081223 |
Complexity: | 181 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 227.97859 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 227.97859 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 37.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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