| CAS Number | 17264-88-9 |
| Catalog Number | AG00AMCG(AGN-PC-0QA524) |
| Chemical Name | SODIUM 3-CHLOROBENZOATE |
| IUPAC Name | sodium;3-chlorobenzoate |
| InChI | InChI=1S/C7H5ClO2.Na/c8-6-3-1-2-5(4-6)7(9)10;/h1-4H,(H,9,10);/q;+1/p-1 |
| InChI Key | FUEXXBRYIMMSRF-UHFFFAOYSA-M |
| MDL Number | MFCD08059569 |
| Molecular Formula | C7H4ClNaO2 |
| Molecular Weight | 178.5482 |
| SMILES | Clc1cccc(c1)C(=O)[O-].[Na+] |
| Synonyms | Sodium 3-chlorobenzoate,
17264-88-9,
SCHEMBL5465362,
3-Chlorobenzoic acid sodium salt,
DTXSID20635393,
OR10911X,
MFCD08059569,
AKOS015911970,
Benzoic acid, 3-chloro-, sodium salt (1:1),
I14-35565,
SODIUM3-CHLOROBENZOATE,
CID11263838,
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| Complexity | 140 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 177.98g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 178.547g/mol |
| Monoisotopic Mass | 177.98g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 40.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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