| CAS Number | 13772-56-0 |
| Catalog Number | AG0013RI(AGN-PC-00246Q) |
| Chemical Name | Methyl 4-fluoro-1-naphthoate |
| IUPAC Name | methyl 4-fluoronaphthalene-1-carboxylate |
| InChI | InChI=1S/C12H9FO2/c1-15-12(14)10-6-7-11(13)9-5-3-2-4-8(9)10/h2-7H,1H3 |
| InChI Key | BGKRQQWFGKBQFV-UHFFFAOYSA-N |
| MDL Number | MFCD12025244 |
| Molecular Formula | C12H9FO2 |
| Molecular Weight | 204.1971 |
| SMILES | FC1=CC=C(C2=CC=CC=C12)C(=O)OC |
| Synonyms | Methyl 4-fluoro-1-naphthoate,
13772-56-0,
Methyl 4-fluoronaphthalene-1-carboxylate,
1-Naphthalenecarboxylic acid, 4-fluoro-, methyl ester,
SCHEMBL1096857,
CTK0F3452,
DTXSID50562926,
BGKRQQWFGKBQFV-UHFFFAOYSA-N,
ZINC95931959,
AKOS022180921,
DA-45517,
SC-66385,
AJ-137323,
FT-0713416,
1-Naphthalenecarboxylic acid, 4-fluoro-, methyl es,
Z1961091897,
|
| Complexity | 242 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 204.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 204.2g/mol |
| Monoisotopic Mass | 204.059g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number