| CAS Number | 819076-91-0 |
| Catalog Number | AG00G8RX(AGN-PC-0CE8RX) |
| Chemical Name | Methyl 2-chlorobenzo[d]oxazole-6-carboxylate |
| IUPAC Name | methyl 2-chloro-1,3-benzoxazole-6-carboxylate |
| InChI | InChI=1S/C9H6ClNO3/c1-13-8(12)5-2-3-6-7(4-5)14-9(10)11-6/h2-4H,1H3 |
| InChI Key | ZZMHBFGSQVJSER-UHFFFAOYSA-N |
| MDL Number | MFCD20528144 |
| Molecular Formula | C9H6ClNO3 |
| Molecular Weight | 211.6018 |
| SMILES | COC(=O)C1=CC2=C(C=C1)N=C(O2)Cl |
| Synonyms | 819076-91-0,
methyl 2-chlorobenzo[d]oxazole-6-carboxylate,
methyl 2-chloro-1,3-benzoxazole-6-carboxylate,
SCHEMBL2361382,
ZZMHBFGSQVJSER-UHFFFAOYSA-N,
ZINC95879206,
AKOS023578709,
NE60738,
DA-03123,
FT-0727928,
Methyl 2chloro-1,3benzoxazole-6-carboxylate,
2-chlorobenzoxazole-6-carboxylic acid methyl ester,
2-chloro-benzooxazole-6-carboxylic acid methyl ester,
6-Benzoxazolecarboxylic acid, 2-chloro-, methyl ester,
C9H6ClNO3,
|
| Complexity | 236 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 211.004g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 211.601g/mol |
| Monoisotopic Mass | 211.004g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 52.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number