| CAS Number | 1407516-40-8 |
| Catalog Number | AG00IWWB(AGN-PC-0WB05G) |
| Chemical Name | Methyl 3-(4-[(2-bromo-5-fluorophenyl)methoxy]phenyl)propanoate |
| IUPAC Name | methyl 3-[4-[(2-bromo-5-fluorophenyl)methoxy]phenyl]propanoate |
| InChI | InChI=1S/C17H16BrFO3/c1-21-17(20)9-4-12-2-6-15(7-3-12)22-11-13-10-14(19)5-8-16(13)18/h2-3,5-8,10H,4,9,11H2,1H3 |
| InChI Key | KXEWTZHGAMRSTH-UHFFFAOYSA-N |
| MDL Number | MFCD22573516 |
| Molecular Formula | C17H16BrFO3 |
| Molecular Weight | 367.2095 |
| SMILES | [Br]C1(=C(C=C(F)C=C1)COC2(=CC=C(CCC(=O)OC)C=C2)) |
| Synonyms | methyl 3-{4-[(2-bromo-5-fluorophenyl)methoxy]phenyl}propanoate,
1407516-40-8,
SCHEMBL15265470,
KS-000026NE,
ZX-RL000508,
MFCD22573516,
ZINC80943341,
AKOS015996871,
HG-0047,
PC200021,
Methyl 3-{4-[(2-bromo-5-fluorophenyl)-methoxy]phenyl}propanoate,
|
| Complexity | 345 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 366.027g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 367.214g/mol |
| Monoisotopic Mass | 366.027g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 35.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number