| CAS Number | 1082283-43-9 |
| Catalog Number | AG0083VR(AGN-PC-0WABBN) |
| Chemical Name | 5-Chloro-3-phenylbenzoic acid |
| IUPAC Name | 3-chloro-5-phenylbenzoic acid |
| InChI | InChI=1S/C13H9ClO2/c14-12-7-10(6-11(8-12)13(15)16)9-4-2-1-3-5-9/h1-8H,(H,15,16) |
| InChI Key | GOVBCPARFFKQIO-UHFFFAOYSA-N |
| MDL Number | MFCD11577111 |
| Molecular Formula | C13H9ClO2 |
| Molecular Weight | 232.6624 |
| SMILES | Clc1cc(cc(c1)C(=O)O)c1ccccc1 |
| Synonyms | 5-CHLORO-3-PHENYLBENZOIC ACID,
1082283-43-9,
ACMC-2098zb,
CTK8A9182,
DTXSID90613648,
3-Chlorobiphenyl-5-carboxylic acid,
ANW-15909,
MFCD11577111,
ZINC20397761,
AKOS016402500,
MCULE-6188725158,
TC-104654,
5-Chloro[1,1'-biphenyl]-3-carboxylic acid,
3-chloro-5-phenylbenzoic acid,
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| Complexity | 248 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 232.029g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 232.663g/mol |
| Monoisotopic Mass | 232.029g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number