| CAS Number | 38402-11-8 |
| Catalog Number | AG00CTH3(AGN-PC-0RGFQX) |
| Chemical Name | Sodium 2,4-dichlorobenzoate |
| IUPAC Name | sodium;2,4-dichlorobenzoate |
| InChI | InChI=1S/C7H4Cl2O2.Na/c8-4-1-2-5(7(10)11)6(9)3-4;/h1-3H,(H,10,11);/q;+1/p-1 |
| InChI Key | XVYLSIXULOLXJR-UHFFFAOYSA-M |
| MDL Number | MFCD16606076 |
| Molecular Formula | C7H3Cl2NaO2 |
| Molecular Weight | 212.9933 |
| SMILES | ClC1=C(C(=O)[O-])C=CC(=C1)Cl.[Na+] |
| Synonyms | Sodium 2,4-dichlorobenzoate,
38402-11-8,
SCHEMBL6231168,
DTXSID60635716,
MFCD16606076,
2,4-Dichlorobenzoic acid sodium salt,
AKOS027386490,
2,4-Dichlorobenzoic acid, sodium salt,
OR16639,
PS-11577,
K-8391,
Benzoic acid, 2,4-dichloro-, sodium salt (1:1),
|
| Complexity | 166 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 211.941g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 212.989g/mol |
| Monoisotopic Mass | 211.941g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 40.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number