| CAS Number | 784-40-7 |
| Catalog Number | AG00G5HA(AGN-PC-0NDGFN) |
| Chemical Name | (2-Amino-5-chlorophenyl)(4-fluorophenyl)methanone |
| IUPAC Name | (2-amino-5-chlorophenyl)-(4-fluorophenyl)methanone |
| InChI | InChI=1S/C13H9ClFNO/c14-9-3-6-12(16)11(7-9)13(17)8-1-4-10(15)5-2-8/h1-7H,16H2 |
| InChI Key | OYBRKOIWKRMOPW-UHFFFAOYSA-N |
| MDL Number | MFCD07780289 |
| Molecular Formula | C13H9ClFNO |
| Molecular Weight | 249.6681 |
| SMILES | NC1=C(C(C2=CC=C(F)C=C2)=O)C=C(Cl)C=C1 |
| Synonyms | (2-amino-5-chlorophenyl)(4-fluorophenyl)methanone,
784-40-7,
4-chloro-2-(4-fluorobenzoyl)aniline,
SCHEMBL2472942,
CTK9A4882,
OYBRKOIWKRMOPW-UHFFFAOYSA-N,
STL301634,
ZINC26439332,
AKOS005362443,
MCULE-2360282043,
2-Amino-4'-fluoro-5-chlorobenzophenone,
L-4798,
(2-amino-5-chlorophenyl)-(4-fluorophenyl)methanone,
(2-Amino-5-chloro-phenyl)-(4-fluoro-phenyl)-methanone,
F2102-0108,
Z2832014162,
CID10955955,
(2-amino-5-chloro-phenyl)-(4-fluorophenyl)methanone,
|
| Complexity | 279 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 249.036g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 249.669g/mol |
| Monoisotopic Mass | 249.036g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 43.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number