| CAS Number | 106841-04-7 |
| Catalog Number | AG007BLU(AGN-PC-0WB52L) |
| Chemical Name | (3-Amino-4-chlorophenyl)(p-tolyl)methanone |
| IUPAC Name | (3-amino-4-chlorophenyl)-(4-methylphenyl)methanone |
| InChI | InChI=1S/C14H12ClNO/c1-9-2-4-10(5-3-9)14(17)11-6-7-12(15)13(16)8-11/h2-8H,16H2,1H3 |
| InChI Key | MXUQMGQNTODIEL-UHFFFAOYSA-N |
| MDL Number | MFCD08691960 |
| Molecular Formula | C14H12ClNO |
| Molecular Weight | 245.7042 |
| SMILES | C1(=CC=C(C(N)=C1)Cl)C(=O)C1C=CC(=CC=1)C |
| Synonyms | 106841-04-7,
(3-AMINO-4-CHLOROPHENYL)(4-METHYLPHENYL)METHANONE,
(3-Amino-4-chlorophenyl)(p-tolyl)methanone,
SCHEMBL9464836,
CTK4A4794,
DTXSID80599725,
CHEMBRDG-BB 9071539,
ZX-CM018254,
MFCD08691960,
ZINC19094321,
AKOS013153821,
AJ-72410,
BC4526324,
Y-4597,
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| Complexity | 273 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 245.061g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 245.706g/mol |
| Monoisotopic Mass | 245.061g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 43.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4 |
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Certificate of Analysis
Lot Number