| CAS Number | 2007915-57-1 |
| Catalog Number | AG01EFNO |
| Chemical Name | Benzyl (6-Chloro-5-Fluoropyridin-3-Yl)Carbamate |
| IUPAC Name | benzyl N-(6-chloro-5-fluoropyridin-3-yl)carbamate |
| InChI | InChI=1S/C13H10ClFN2O2/c14-12-11(15)6-10(7-16-12)17-13(18)19-8-9-4-2-1-3-5-9/h1-7H,8H2,(H,17,18) |
| InChI Key | HCSUEMZPUOHTLP-UHFFFAOYSA-N |
| MDL Number | MFCD30471825 |
| Molecular Formula | C13H10ClFN2O2 |
| Molecular Weight | 280.6821 |
| SMILES | FC1=C(Cl)N=CC(NC(OCC2=CC=CC=C2)=O)=C1 |
| Synonyms | Benzyl (6-chloro-5-fluoropyridin-3-yl)carbamate,
2007915-57-1,
SCHEMBL18786459,
MFCD30471825,
AKOS030628107,
ZINC498050503,
CS-0039591,
Carbamic acid, N-(6-chloro-5-fluoro-3-pyridinyl)-, phenylmethyl ester,
N/A,
|
| Complexity | 300 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 280.041g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 280.683g/mol |
| Monoisotopic Mass | 280.041g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 51.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number