3-Bromo-2-(trifluoromethyl)benzoic Acid Methyl Ester - CAS 1214323-47-3
Catalog: |
BB071899 |
Product Name: |
3-Bromo-2-(trifluoromethyl)benzoic Acid Methyl Ester |
CAS: |
1214323-47-3 |
Synonyms: |
methyl 3-bromo-2-(trifluoromethyl)benzoate; 3-Bromo-2-trifluoromethyl-benzoic acid methyl ester; methyl3-bromo-2-(trifluoromethyl)benzoate |
IUPAC Name: | methyl 3-bromo-2-(trifluoromethyl)benzoate |
Molecular Weight: | 283.04 |
Molecular Formula: | C9H6BrF3O2 |
Canonical SMILES: | COC(=O)C1=C(C(=CC=C1)Br)C(F)(F)F |
InChI: | InChI=1S/C9H6BrF3O2/c1-15-8(14)5-3-2-4-6(10)7(5)9(11,12)13/h2-4H,1H3 |
InChI Key: | GYXKJKGTJBJWDO-UHFFFAOYSA-N |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/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 |
Complexity: | 242 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 281.95033 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 281.95033 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 26.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.4 |
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