5-Bromo-2-(Boc-amino)thiophene-3-carboxylic Acid - CAS 923010-34-8
Catalog: |
BB040476 |
Product Name: |
5-Bromo-2-(Boc-amino)thiophene-3-carboxylic Acid |
CAS: |
923010-34-8 |
Synonyms: |
5-bromo-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-thiophenecarboxylic acid; 5-bromo-2-[(2-methylpropan-2-yl)oxycarbonylamino]thiophene-3-carboxylic acid |
IUPAC Name: | 5-bromo-2-[(2-methylpropan-2-yl)oxycarbonylamino]thiophene-3-carboxylic acid |
Description: | 5-Bromo-2-(Boc-amino)thiophene-3-carboxylic Acid (CAS# 923010-34-8 ) is a useful research chemical. |
Molecular Weight: | 322.18 |
Molecular Formula: | C10H12BrNO4S |
Canonical SMILES: | CC(C)(C)OC(=O)NC1=C(C=C(S1)Br)C(=O)O |
InChI: | InChI=1S/C10H12BrNO4S/c1-10(2,3)16-9(15)12-7-5(8(13)14)4-6(11)17-7/h4H,1-3H3,(H,12,15)(H,13,14) |
InChI Key: | LWNYBNYYXKQJIV-UHFFFAOYSA-N |
LogP: | 3.62880 |
Publication Number | Title | Priority Date |
JP-2010043019-A | Piperidinyl piperazine compounds | 20080812 |
EP-2123652-A1 | Heterocyclic compound | 20070220 |
JP-WO2008102749-A1 | Heterocyclic compounds | 20070220 |
US-2010113418-A1 | Heterocyclic compound | 20070220 |
CA-2648748-A1 | Nitrogen-containing heterocyclic compound | 20060414 |
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: | 104 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.6 |
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