4-(5-Bromothiophen-2-yl)benzoic Acid - CAS 145208-54-4
Catalog: |
BB071451 |
Product Name: |
4-(5-Bromothiophen-2-yl)benzoic Acid |
CAS: |
145208-54-4 |
Synonyms: |
4-(5-bromothiophen-2-yl)benzoic Acid; 4-(5-bromothiophen-2-yl)benzoicAcid; 4-(5-Bromo-thiophen-2-yl)benzoic acid |
IUPAC Name: | 4-(5-bromothiophen-2-yl)benzoic acid |
Molecular Weight: | 283.14 |
Molecular Formula: | C11H7BrO2S |
Canonical SMILES: | C1=CC(=CC=C1C2=CC=C(S2)Br)C(=O)O |
InChI: | InChI=1S/C11H7BrO2S/c12-10-6-5-9(15-10)7-1-3-8(4-2-7)11(13)14/h1-6H,(H,13,14) |
InChI Key: | KZLZFZNQHIRXDH-UHFFFAOYSA-N |
Complexity: | 239 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 281.93501 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 281.93501 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 65.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.8 |
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