| CAS Number | 76464-57-8 |
| Catalog Number | AG00ICQP(AGN-PC-0WOJ84) |
| Chemical Name | 3-(Benzyloxy)-4-chloroaniline |
| IUPAC Name | 4-chloro-3-phenylmethoxyaniline |
| InChI | InChI=1S/C13H12ClNO/c14-12-7-6-11(15)8-13(12)16-9-10-4-2-1-3-5-10/h1-8H,9,15H2 |
| InChI Key | DHCZZVVRBZUONT-UHFFFAOYSA-N |
| MDL Number | MFCD19625037 |
| Molecular Formula | C13H12ClNO |
| Molecular Weight | 233.6935 |
| SMILES | Nc1ccc(c(c1)OCc1ccccc1)Cl |
| Synonyms | 3-(Benzyloxy)-4-chloroaniline,
76464-57-8,
3-benzyloxy-4-chloroaniline,
SCHEMBL4194593,
DHCZZVVRBZUONT-UHFFFAOYSA-N,
MFCD19625037,
ZINC39329706,
AKOS013325774,
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| Complexity | 206 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 233.061g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 233.695g/mol |
| Monoisotopic Mass | 233.061g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
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Certificate of Analysis
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