Methyl N-Boc-2-bromo-5-sulfamoylbenzoate - CAS 1272756-19-0
Catalog: |
BB006771 |
Product Name: |
Methyl N-Boc-2-bromo-5-sulfamoylbenzoate |
CAS: |
1272756-19-0 |
Synonyms: |
2-bromo-5-[[(2-methylpropan-2-yl)oxy-oxomethyl]sulfamoyl]benzoic acid methyl ester; methyl 2-bromo-5-[(2-methylpropan-2-yl)oxycarbonylsulfamoyl]benzoate |
IUPAC Name: | methyl 2-bromo-5-[(2-methylpropan-2-yl)oxycarbonylsulfamoyl]benzoate |
Description: | Methyl N-Boc-2-bromo-5-sulfamoylbenzoate (CAS# 1272756-19-0 ) is a useful research chemical. |
Molecular Weight: | 394.24 |
Molecular Formula: | C13H16BrNO6S |
Canonical SMILES: | CC(C)(C)OC(=O)NS(=O)(=O)C1=CC(=C(C=C1)Br)C(=O)OC |
InChI: | InChI=1S/C13H16BrNO6S/c1-13(2,3)21-12(17)15-22(18,19)8-5-6-10(14)9(7-8)11(16)20-4/h5-7H,1-4H3,(H,15,17) |
InChI Key: | FHVDCUHAGOBUQE-UHFFFAOYSA-N |
LogP: | 3.83260 |
Publication Number | Title | Priority Date |
US-2015246958-A1 | Bioreversable promoieties for nitrogen-containing and hydroxyl-containing drugs | 20131206 |
WO-2015081891-A1 | Bioreversable promoieties for nitrogen-containing and hydroxyl-containing drugs | 20131206 |
Complexity: | 522 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 392.98817 |
Formal Charge: | 0 |
Heavy Atom Count: | 22 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 392.98817 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 107 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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