1-[(5-Bromothien-2-yl)sulphonyl]pyrrolidine-2-carboxylic acid - CAS 1301738-60-2
Catalog: |
BB071906 |
Product Name: |
1-[(5-Bromothien-2-yl)sulphonyl]pyrrolidine-2-carboxylic acid |
CAS: |
1301738-60-2 |
Synonyms: |
1-[(5-Bromothien-2-yl)sulphonyl]pyrrolidine-2-carboxylic acid; 1-[(5-bromo-2-thienyl)sulfonyl]proline; 1-(5-bromothiophen-2-yl)sulfonylpyrrolidine-2-carboxylic acid; 1-[(5-bromothien-2-yl)sulfonyl]pyrrolidine-2-carboxylic acid; 1-[(5-bromothiophen-2-yl)sulfonyl]pyrrolidine-2-carboxylic acid; proline, 1-[(5-bromo-2-thienyl)sulfonyl]-; 1-((5-Bromothiophen-2-yl)sulfonyl)pyrrolidine-2-carboxylic acid |
IUPAC Name: | 1-(5-bromothiophen-2-yl)sulfonylpyrrolidine-2-carboxylic acid |
Description: | 1-[(5-Bromothien-2-yl)sulphonyl]pyrrolidine-2-carboxylic acid |
Molecular Weight: | 340.21 |
Molecular Formula: | C9H10BrNO4S2 |
Canonical SMILES: | C1CC(N(C1)S(=O)(=O)C2=CC=C(S2)Br)C(=O)O |
InChI: | InChI=1S/C9H10BrNO4S2/c10-7-3-4-8(16-7)17(14,15)11-5-1-2-6(11)9(12)13/h3-4,6H,1-2,5H2,(H,12,13) |
InChI Key: | BPZROJBFWUPMAB-UHFFFAOYSA-N |
Complexity: | 408 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 338.92346 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 338.92346 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 111Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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