| CAS Number | 951915-22-3 |
| Catalog Number | AG01AKYN |
| Chemical Name | {2-[(2-chlorophenoxy)methyl]phenyl}methanamine |
| IUPAC Name | [2-[(2-chlorophenoxy)methyl]phenyl]methanamine |
| InChI | InChI=1S/C14H14ClNO/c15-13-7-3-4-8-14(13)17-10-12-6-2-1-5-11(12)9-16/h1-8H,9-10,16H2 |
| InChI Key | DFBCTUYJEBUEQY-UHFFFAOYSA-N |
| MDL Number | MFCD09906579 |
| Molecular Formula | C14H14ClNO |
| Molecular Weight | 247.7201 |
| SMILES | NCC1=C(COC2=C(Cl)C=CC=C2)C=CC=C1 |
| Synonyms | [2-(2-chlorophenoxymethyl)phenyl]methanamine,
951915-22-3,
ZINC11944887,
AKOS005842713,
MCULE-8204855103,
NE20391,
EN300-85695,
{2-[(2-chlorophenoxy)methyl]phenyl}methanamine,
Z1258948110,
|
| Complexity | 224 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 247.076g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 247.722g/mol |
| Monoisotopic Mass | 247.076g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
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Certificate of Analysis
Lot Number