| CAS Number | 5774-06-1 |
| Catalog Number | AG01ALRT(AGN-PC-00246M) |
| Chemical Name | 3-chloronaphthalene-1-carboxylic acid |
| IUPAC Name | 3-chloronaphthalene-1-carboxylic acid |
| InChI | InChI=1S/C11H7ClO2/c12-8-5-7-3-1-2-4-9(7)10(6-8)11(13)14/h1-6H,(H,13,14) |
| InChI Key | FLTFFMICQOCLQN-UHFFFAOYSA-N |
| MDL Number | MFCD12024773 |
| Molecular Formula | C11H7ClO2 |
| Molecular Weight | 206.6251 |
| SMILES | Clc1cc2ccccc2c(c1)C(=O)O |
| Synonyms | 3-chloro-1-naphthoic acid,
5774-06-1,
3-Chloronaphthalene-1-carboxylic acid,
SCHEMBL5752655,
CTK1F1383,
DTXSID70562923,
ZINC34345294,
AKOS024438015,
1-Naphthalenecarboxylic acid, 3-chloro-,
FT-0751108,
Z2568757986,
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| Complexity | 229 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 206.013g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 206.625g/mol |
| Monoisotopic Mass | 206.013g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
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Certificate of Analysis
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