| CAS Number | 478032-36-9 |
| Catalog Number | AG00IOQJ(AGN-PC-0WAT2C) |
| Chemical Name | [2-(3-chlorophenoxy)phenyl]methanol |
| IUPAC Name | [2-(3-chlorophenoxy)phenyl]methanol |
| InChI | InChI=1S/C13H11ClO2/c14-11-5-3-6-12(8-11)16-13-7-2-1-4-10(13)9-15/h1-8,15H,9H2 |
| InChI Key | JKLAPLNUVVWDPZ-UHFFFAOYSA-N |
| MDL Number | MFCD02082000 |
| Molecular Formula | C13H11ClO2 |
| Molecular Weight | 234.6782 |
| SMILES | ClC2(=CC(OC1(=C(C=CC=C1)CO))=CC=C2) |
| Synonyms | [2-(3-chlorophenoxy)phenyl]methanol,
478032-36-9,
AC1MV37E,
Oprea1_286417,
KS-00001VOJ,
ZINC5945975,
MFCD02082000,
AKOS005088842,
MCULE-5952887292,
3P-010,
CID3676918,
|
| Complexity | 210 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 234.045g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 234.679g/mol |
| Monoisotopic Mass | 234.045g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
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Certificate of Analysis
Lot Number