5-Bromo-3-[[(1,1-dimethylethoxy)carbonyl]amino]-2-thiophenecarboxylic Acid - CAS 494833-77-1
Catalog: |
BB071467 |
Product Name: |
5-Bromo-3-[[(1,1-dimethylethoxy)carbonyl]amino]-2-thiophenecarboxylic Acid |
CAS: |
494833-77-1 |
Synonyms: |
5-Bromo-3-((tert-butoxycarbonyl)amino)thiophene-2-carboxylic acid; 5-Bromo-3-tert-butoxycarbonylamino-thiophene-2-carboxylic acid; 5-bromo-3-[(2-methylpropan-2-yl)oxycarbonylamino]thiophene-2-carboxylic acid; 5-bromo-3-tert-butoxycarbonylaminothiophene-2-carboxylic acid; 5-Bromo-3-[(tert-butoxycarbonyl)amino]thiophene-2-carboxylic acid |
IUPAC Name: | 5-bromo-3-[(2-methylpropan-2-yl)oxycarbonylamino]thiophene-2-carboxylic acid |
Molecular Weight: | 322.18 |
Molecular Formula: | C10H12BrNO4S |
Canonical SMILES: | CC(C)(C)OC(=O)NC1=C(SC(=C1)Br)C(=O)O |
InChI: | InChI=1S/C10H12BrNO4S/c1-10(2,3)16-9(15)12-5-4-6(11)17-7(5)8(13)14/h4H,1-3H3,(H,12,15)(H,13,14) |
InChI Key: | GAPISYOCEOSVSG-UHFFFAOYSA-N |
Complexity: | 318 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 320.96704 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 320.96704 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 104Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.6 |
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