| CAS Number | 721409-05-8 |
| Catalog Number | AG005VWA(AGN-PC-0WR4JH) |
| Chemical Name | 4-Chloro-n-(3-formyl-phenyl)-benzamide |
| IUPAC Name | 4-chloro-N-(3-formylphenyl)benzamide |
| InChI | InChI=1S/C14H10ClNO2/c15-12-6-4-11(5-7-12)14(18)16-13-3-1-2-10(8-13)9-17/h1-9H,(H,16,18) |
| InChI Key | IFPKRANDHTYRSN-UHFFFAOYSA-N |
| MDL Number | MFCD03951075 |
| Molecular Formula | C14H10ClNO2 |
| Molecular Weight | 259.6877 |
| SMILES | ClC1=CC=C(C(NC2=CC(C=O)=CC=C2)=O)C=C1 |
| Synonyms | 4-chloro-N-(3-formylphenyl)benzamide,
721409-05-8,
4-Chloro-N-(3-formyl-phenyl)-benzamide,
Benzamide, 4-chloro-N-(3-formylphenyl)-,
AC1M5AU6,
AC1Q3IO0,
SCHEMBL2106756,
CTK2H2837,
DTXSID70368306,
IFPKRANDHTYRSN-UHFFFAOYSA-N,
ZINC3258335,
MFCD03951075,
AKOS008966834,
MCULE-7912226835,
NE36136,
EN300-04383,
ZINC03258335,
CID2375093,
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| Complexity | 300 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 259.04g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 259.689g/mol |
| Monoisotopic Mass | 259.04g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 46.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number