3-bromoisoxazole-5-carboxylic acid - CAS 6567-35-7
Catalog: |
BB032791 |
Product Name: |
3-bromoisoxazole-5-carboxylic acid |
CAS: |
6567-35-7 |
Synonyms: |
3-bromo-5-isoxazolecarboxylic acid; 3-bromo-1,2-oxazole-5-carboxylic acid |
IUPAC Name: | 3-bromo-1,2-oxazole-5-carboxylic acid |
Description: | 3-Bromoisoxazole-5-carboxylic Acid has been used for the preparation of oxazolidinone with substituted isoxazole derivatives to be used as antibacterial agents. |
Molecular Weight: | 191.97 |
Molecular Formula: | C4H2BrNO3 |
Canonical SMILES: | C1=C(ON=C1Br)C(=O)O |
InChI: | InChI=1S/C4H2BrNO3/c5-3-1-2(4(7)8)9-6-3/h1H,(H,7,8) |
InChI Key: | YNIMFLBFJCGBQK-UHFFFAOYSA-N |
Boiling Point: | 375.162 °C at 760 mmHg |
Purity: | 95 % |
Density: | 2.039 g/cm3 |
MDL: | MFCD07368611 |
LogP: | 1.13530 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2012202856-A1 | Substituted benzimdazole derivatives useful as trpm8 receptor modulators | 20110207 |
US-2013296279-A1 | Substituted tetracyclines | 20101111 |
WO-2012065028-A2 | Substituted tetracyclines | 20101111 |
AU-2009296839-A1 | Azaindazole compounds as CCR1 receptor antagonists | 20080926 |
CA-2737472-A1 | Azaindazole compounds as ccr1 receptor antagonists | 20080926 |
Complexity: | 129 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 190.92181 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 190.92181 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 63.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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