7-Chlorobenzoxazol-2(3H)-one - CAS 83972-30-9
Catalog: |
BB037117 |
Product Name: |
7-Chlorobenzoxazol-2(3H)-one |
CAS: |
83972-30-9 |
Synonyms: |
7-chloro-3H-1,3-benzoxazol-2-one; 7-chloro-3H-1,3-benzoxazol-2-one |
IUPAC Name: | 7-chloro-3H-1,3-benzoxazol-2-one |
Description: | 7-Chlorobenzoxazol-2(3H)-one (CAS# 83972-30-9 ) is a useful research chemical. |
Molecular Weight: | 169.57 |
Molecular Formula: | C7H4ClNO2 |
Canonical SMILES: | C1=CC2=C(C(=C1)Cl)OC(=O)N2 |
InChI: | InChI=1S/C7H4ClNO2/c8-4-2-1-3-5-6(4)11-7(10)9-5/h1-3H,(H,9,10) |
InChI Key: | PKVSEKISDMDLAQ-UHFFFAOYSA-N |
LogP: | 1.77450 |
Publication Number | Title | Priority Date |
US-2015057238-A1 | Kynurenine-3-monooxygenase inhibitors, pharmaceutical compositions, and methods of use thereof | 20120405 |
WO-2013151707-A1 | Kynurenine-3-monooxygenase inhibitors, pharmaceutical compositions, and methods of use thereof | 20120405 |
CN-106518845-B | Kynurenin -3- monooxygenase inhibitor, pharmaceutical composition and its application method | 20110830 |
EP-2750677-A1 | Kynurenine-3-monooxygenase inhibitors, pharmaceutical compositions, and methods of use thereof | 20110830 |
WO-2013033085-A1 | Kynurenine-3-monooxygenase inhibitors, pharmaceutical compositions, and methods of use thereof | 20110830 |
Complexity: | 185 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 168.9930561 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 168.9930561 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 38.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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