| CAS Number | 1094300-46-5 |
| Catalog Number | AG019WEF |
| Chemical Name | 3-(chloromethyl)-N-(furan-2-ylmethyl)benzamide |
| IUPAC Name | 3-(chloromethyl)-N-(furan-2-ylmethyl)benzamide |
| InChI | InChI=1S/C13H12ClNO2/c14-8-10-3-1-4-11(7-10)13(16)15-9-12-5-2-6-17-12/h1-7H,8-9H2,(H,15,16) |
| InChI Key | TUVXAIHKJMJPBR-UHFFFAOYSA-N |
| MDL Number | MFCD11208352 |
| Molecular Formula | C13H12ClNO2 |
| Molecular Weight | 249.6929 |
| SMILES | ClCC1=CC(C(NCC2OC=CC=2)=O)=CC=C1 |
| Synonyms | 3-(chloromethyl)-N-(furan-2-ylmethyl)benzamide,
1094300-46-5,
AC1Q3U0D,
CTK6H6614,
ZINC36379778,
NE15129,
EN300-51677,
|
| Complexity | 260 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 249.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 249.694g/mol |
| Monoisotopic Mass | 249.056g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 42.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number