| CAS Number | 1145-58-0 |
| Catalog Number | AG009LXP(AGN-PC-0WCJDU) |
| Chemical Name | 4-(3-Chlorophenoxy)benzoic acid |
| IUPAC Name | 4-(3-chlorophenoxy)benzoic acid |
| InChI | InChI=1S/C13H9ClO3/c14-10-2-1-3-12(8-10)17-11-6-4-9(5-7-11)13(15)16/h1-8H,(H,15,16) |
| InChI Key | KFOAXWSLHHLZQB-UHFFFAOYSA-N |
| MDL Number | MFCD11122181 |
| Molecular Formula | C13H9ClO3 |
| Molecular Weight | 248.6618 |
| SMILES | ClC=1C=C(OC2=CC=C(C(=O)O)C=C2)C=CC1 |
| Synonyms | 4-(3-chlorophenoxy)benzoic acid,
1145-58-0,
AC1Q73FI,
SCHEMBL15011761,
KS-00003SRV,
KFOAXWSLHHLZQB-UHFFFAOYSA-N,
4-(3-Chlorophenoxy)-benzoic acid,
ZINC20391191,
AKOS002679466,
MCULE-8474073200,
NE23240,
TS-00764,
FT-0751470,
EN300-62233,
Z1259161829,
|
| Complexity | 261 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 248.024g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 248.662g/mol |
| Monoisotopic Mass | 248.024g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number