| CAS Number | 1048912-81-7 |
| Catalog Number | AG0090XZ(AGN-PC-0WAZGD) |
| Chemical Name | 2-(5-nitro-2-pyridinyl)benzenecarboxylic acid |
| IUPAC Name | 2-(5-nitropyridin-2-yl)benzoic acid |
| InChI | InChI=1S/C12H8N2O4/c15-12(16)10-4-2-1-3-9(10)11-6-5-8(7-13-11)14(17)18/h1-7H,(H,15,16) |
| InChI Key | LZILLRBYDMYDGM-UHFFFAOYSA-N |
| MDL Number | MFCD11100218 |
| Molecular Formula | C12H8N2O4 |
| Molecular Weight | 244.2029 |
| SMILES | O=[N+]([O-])C2(=CN=C(C1(=C(C(=O)O)C=CC=C1))C=C2) |
| Synonyms | 2-(5-nitro-2-pyridinyl)benzenecarboxylic acid,
2-(5-nitropyridin-2-yl)benzoic acid,
1048912-81-7,
SCHEMBL6715190,
CTK5I3428,
3-Nitropyridine-6-ylbenzoic acid,
DTXSID30595252,
LZILLRBYDMYDGM-UHFFFAOYSA-N,
ZX-RL002932,
2-(5-nitro-2-pyridyl)benzoic acid,
MFCD11100218,
SBB099825,
ZINC16698772,
AKOS005072617,
FC-0606,
RP13938,
KS-0000251N,
AJ-69541,
OR303709,
TR-064736,
J-506144,
|
| Complexity | 329 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 244.048g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 244.206g/mol |
| Monoisotopic Mass | 244.048g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 96A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number