| CAS Number | 80525-95-7 |
| Catalog Number | AG01B1L5 |
| Chemical Name | 5-Chloro-7-methyl-2,3-dihydro-1,3-benzoxazol-2-one |
| IUPAC Name | 5-chloro-7-methyl-3H-1,3-benzoxazol-2-one |
| InChI | InChI=1S/C8H6ClNO2/c1-4-2-5(9)3-6-7(4)12-8(11)10-6/h2-3H,1H3,(H,10,11) |
| InChI Key | WBBSTFQOSDNXDO-UHFFFAOYSA-N |
| MDL Number | MFCD16742808 |
| Molecular Formula | C8H6ClNO2 |
| Molecular Weight | 183.5917 |
| SMILES | CC1=C2C(NC(O2)=O)=CC(Cl)=C1 |
| Synonyms | 80525-95-7,
5-Chloro-7-methylbenzo[d]oxazol-2(3H)-one,
5-chloro-7-methyl-2,3-dihydro-1,3-benzoxazol-2-one,
CHEMBL4117800,
SCHEMBL11301720,
WBBSTFQOSDNXDO-UHFFFAOYSA-N,
MFCD16742808,
ZINC52066125,
AKOS011654965,
AS-36325,
5-Chloro-7-methyl-1,3-benzoxazol-2(3H)-one,
Z2519002099,
|
| Complexity | 209 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 183.009g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 183.591g/mol |
| Monoisotopic Mass | 183.009g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number