| CAS Number | 1002970-32-2 |
| Catalog Number | AG01B2IS |
| Chemical Name | 3-chloro-4-[(3-chlorophenyl)methoxy]benzoic acid |
| IUPAC Name | 3-chloro-4-[(3-chlorophenyl)methoxy]benzoic acid |
| InChI | InChI=1S/C14H10Cl2O3/c15-11-3-1-2-9(6-11)8-19-13-5-4-10(14(17)18)7-12(13)16/h1-7H,8H2,(H,17,18) |
| InChI Key | YZOMEFGASCKZMH-UHFFFAOYSA-N |
| MDL Number | MFCD17169525 |
| Molecular Formula | C14H10Cl2O3 |
| Molecular Weight | 297.1334 |
| SMILES | ClC=1C=C(C(=O)O)C=CC1OCC1=CC(=CC=C1)Cl |
| Synonyms | 3-chloro-4-[(3-chlorophenyl)methoxy]benzoic Acid,
1002970-32-2,
AC1PC5DI,
SCHEMBL698500,
YZOMEFGASCKZMH-UHFFFAOYSA-N,
ZINC7603987,
AKOS008971132,
4-(3-Chlorobenzyloxy)-3-chlorobenzoic acid,
Z64761285,
CID8707028,
|
| Complexity | 311 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 296.001g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 297.131g/mol |
| Monoisotopic Mass | 296.001g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number