| CAS Number | 84403-78-1 |
| Catalog Number | AG00G7KG(AGN-PC-0JYNEW) |
| Chemical Name | 4-[(2-Chlorobenzyl)oxy]benzoic acid |
| IUPAC Name | 4-[(2-chlorophenyl)methoxy]benzoic acid |
| InChI | InChI=1S/C14H11ClO3/c15-13-4-2-1-3-11(13)9-18-12-7-5-10(6-8-12)14(16)17/h1-8H,9H2,(H,16,17) |
| InChI Key | LPILWQCXDRPDBT-UHFFFAOYSA-N |
| MDL Number | MFCD04554128 |
| Molecular Formula | C14H11ClO3 |
| Molecular Weight | 262.6883 |
| SMILES | OC(=O)C1=CC=C(OCC2=C(Cl)C=CC=C2)C=C1 |
| Synonyms | 4-[(2-chlorobenzyl)oxy]benzoic acid,
84403-78-1,
4-[(2-chlorophenyl)methoxy]benzoic Acid,
4-((2-Chlorobenzyl)oxy)benzoic acid,
AC1LIXXV,
CTK6H3335,
ALBB-008961,
ZINC5998389,
ZX-AN007856,
0448AF,
BBL034381,
MFCD04554128,
SBB049653,
STK501656,
AKOS000291569,
MCULE-5677758500,
SEL10619981,
TR-060871,
AP-970/41298037,
C14H11ClO3,
CID964396,
|
| Complexity | 274 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 262.04g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 262.689g/mol |
| Monoisotopic Mass | 262.04g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number