| CAS Number | 1001185-81-4 |
| Catalog Number | AG0091LC |
| Chemical Name | 2-Chloro-4-Methyl-1,3-Benzoxazole |
| IUPAC Name | 2-chloro-4-methyl-1,3-benzoxazole |
| InChI | InChI=1S/C8H6ClNO/c1-5-3-2-4-6-7(5)10-8(9)11-6/h2-4H,1H3 |
| InChI Key | ASUINKKWQLZQJB-UHFFFAOYSA-N |
| MDL Number | MFCD16250623 |
| Molecular Formula | C8H6ClNO |
| Molecular Weight | 167.5923 |
| SMILES | CC1=C2N=C(OC2=CC=C1)Cl |
| Synonyms | 2-chloro-4-methylbenzo[d]oxazole,
1001185-81-4,
2-chloro-4-methyl-1,3-benzoxazole,
2-Chloro-4-methylbenzoxazole,
SCHEMBL1821481,
ZINC52066144,
AKOS011655305,
DA-16569,
SY130043,
FT-0754318,
MFCD16250623 (95%),
|
| Complexity | 153 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 167.014g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 167.592g/mol |
| Monoisotopic Mass | 167.014g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number