| CAS Number | 1048912-89-5 |
| Catalog Number | AG00IUAR(AGN-PC-0WAZGE) |
| Chemical Name | 2-(5-Chloropyridin-2-yl)benzoic acid |
| IUPAC Name | 2-(5-chloropyridin-2-yl)benzoic acid |
| InChI | InChI=1S/C12H8ClNO2/c13-8-5-6-11(14-7-8)9-3-1-2-4-10(9)12(15)16/h1-7H,(H,15,16) |
| InChI Key | CRTRPPBWTMUCQI-UHFFFAOYSA-N |
| MDL Number | MFCD11100219 |
| Molecular Formula | C12H8ClNO2 |
| Molecular Weight | 233.6504 |
| SMILES | ClC2(=CN=C(C1(=C(C(=O)O)C=CC=C1))C=C2) |
| Synonyms | 2-(5-chloro-2-pyridinyl)benzenecarboxylic acid,
2-(5-chloropyridin-2-yl)benzoic acid,
1048912-89-5,
CTK6H1517,
chloropyridinylbenzenecarboxylicacid,
ZX-RL002933,
MFCD11100219,
SBB098135,
ZINC16698774,
2-(5-chloro-2-pyridyl)benzoic acid,
AKOS005072642,
FC-0608,
MCULE-8335093909,
RP13422,
KS-0000251O,
AJ-69542,
OR303710,
TR-064737,
|
| Complexity | 259 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 233.024g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 233.651g/mol |
| Monoisotopic Mass | 233.024g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 50.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number