| CAS Number | 80306-38-3 |
| Catalog Number | AG00GA58(AGN-PC-0WOJDK) |
| Chemical Name | AR7 |
| IUPAC Name | 7-chloro-3-(4-methylphenyl)-2H-1,4-benzoxazine |
| InChI | InChI=1S/C15H12ClNO/c1-10-2-4-11(5-3-10)14-9-18-15-8-12(16)6-7-13(15)17-14/h2-8H,9H2,1H3 |
| InChI Key | MVOZLTFXYGHZPM-UHFFFAOYSA-N |
| MDL Number | MFCD27978377 |
| Molecular Formula | C15H12ClNO |
| Molecular Weight | 257.7149 |
| SMILES | ClC1=CC=C2C(OCC(C3=CC=C(C)C=C3)=N2)=C1 |
| Synonyms | 80306-38-3,
AR-7,
AR7,
7-chloro-3-p-tolyl-2H-benzo[b][1,4]oxazine,
Atypical retinoid 7,
7-Chloro-3-(p-tolyl)-2H-benzo[b][1,4]oxazine,
CHEMBL554764,
SCHEMBL12206685,
BCP25687,
EX-A1249,
ZINC42963264,
AKOS032946191,
CS-6249,
NCGC00347937-01,
HY-101106,
7-chloro-3-(4-methylphenyl)-2H-1,4-benzoxazine,
A12905,
|
| Complexity | 323 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 257.061g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 257.717g/mol |
| Monoisotopic Mass | 257.061g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 21.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number