Methyl 2-Bromo-5-sulfamoylbenzoate - CAS 924867-88-9
Catalog: |
BB040535 |
Product Name: |
Methyl 2-Bromo-5-sulfamoylbenzoate |
CAS: |
924867-88-9 |
Synonyms: |
2-bromo-5-sulfamoylbenzoic acid methyl ester; methyl 2-bromo-5-sulfamoylbenzoate |
IUPAC Name: | methyl 2-bromo-5-sulfamoylbenzoate |
Description: | Methyl 2-Bromo-5-sulfamoylbenzoate (CAS# 924867-88-9) is a useful research chemical. |
Molecular Weight: | 294.12 |
Molecular Formula: | C8H8BrNO4S |
Canonical SMILES: | COC(=O)C1=C(C=CC(=C1)S(=O)(=O)N)Br |
InChI: | InChI=1S/C8H8BrNO4S/c1-14-8(11)6-4-5(15(10,12)13)2-3-7(6)9/h2-4H,1H3,(H2,10,12,13) |
InChI Key: | IQWBSPAOUYKERV-UHFFFAOYSA-N |
LogP: | 2.66420 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
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: | 337 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 292.93574 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 292.93574 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 94.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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