| CAS Number | 1092286-05-9 |
| Catalog Number | AG01A4RP(AGN-PC-0WO8MQ) |
| Chemical Name | 2-(1-chloroethyl)-1,3-benzoxazole |
| IUPAC Name | 2-(1-chloroethyl)-1,3-benzoxazole |
| InChI | InChI=1S/C9H8ClNO/c1-6(10)9-11-7-4-2-3-5-8(7)12-9/h2-6H,1H3 |
| InChI Key | PBDKIPQEQVWJHW-UHFFFAOYSA-N |
| MDL Number | MFCD10691335 |
| Molecular Formula | C9H8ClNO |
| Molecular Weight | 181.6189 |
| SMILES | CC(C1OC2=C(C=CC=C2)N=1)Cl |
| Synonyms | 2-(1-chloroethyl)-1,3-benzoxazole,
1092286-05-9,
STL301760,
AKOS009158939,
MCULE-3840653598,
NE23323,
|
| Complexity | 165 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 181.029g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 181.619g/mol |
| Monoisotopic Mass | 181.029g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
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Certificate of Analysis
Lot Number