| CAS Number | 1261978-99-7 |
| Catalog Number | AG00HPF0 |
| Chemical Name | 6-Chloro-2-(4-methylphenyl)benzoic acid |
| IUPAC Name | 2-chloro-6-(4-methylphenyl)benzoic acid |
| InChI | InChI=1S/C14H11ClO2/c1-9-5-7-10(8-6-9)11-3-2-4-12(15)13(11)14(16)17/h2-8H,1H3,(H,16,17) |
| InChI Key | RMCWZDZQMZCSEN-UHFFFAOYSA-N |
| MDL Number | MFCD18318968 |
| Molecular Formula | C14H11ClO2 |
| Molecular Weight | 246.6889 |
| SMILES | Cc1ccc(cc1)c1cccc(c1C(=O)O)Cl |
| Synonyms | 1261978-99-7,
6-CHLORO-2-(4-METHYLPHENYL)BENZOIC ACID,
3-Chloro-4'-methyl-[1,1'-biphenyl]-2-carboxylic acid,
DTXSID80688628,
MFCD18318968,
3-Chloro-4'-methyl[1,1'-biphenyl]-2-carboxylic acid,
2-chloro-6-(4-methylphenyl)benzoic acid,
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| Complexity | 271 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 246.045g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 246.69g/mol |
| Monoisotopic Mass | 246.045g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number