| CAS Number | 669002-29-3 |
| Catalog Number | AG00FGXR(AGN-PC-09NZR6) |
| Chemical Name | 4-(4-Methoxyphenyl)-2-nitrobenzoic acid |
| IUPAC Name | 4-(4-methoxyphenyl)-2-nitrobenzoic acid |
| InChI | InChI=1S/C14H11NO5/c1-20-11-5-2-9(3-6-11)10-4-7-12(14(16)17)13(8-10)15(18)19/h2-8H,1H3,(H,16,17) |
| InChI Key | XTHREIALOWGMPJ-UHFFFAOYSA-N |
| MDL Number | MFCD18319531 |
| Molecular Formula | C14H11NO5 |
| Molecular Weight | 273.2408 |
| SMILES | COc1ccc(cc1)c1ccc(c(c1)[N+](=O)[O-])C(=O)O |
| Synonyms | 4-(4-METHOXYPHENYL)-2-NITROBENZOIC ACID,
669002-29-3,
SCHEMBL5194932,
DTXSID90689181,
XTHREIALOWGMPJ-UHFFFAOYSA-N,
MFCD18319531,
ZINC95495080,
AKOS026673764,
4'-methoxy-3-nitro-biphenyl-4-carboxylic acid,
4'-(Methyloxy)-3-nitro-4-biphenylcarboxylic acid,
4'-Methoxy-3-nitro[1,1'-biphenyl]-4-carboxylic acid,
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| Complexity | 359 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 273.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 273.244g/mol |
| Monoisotopic Mass | 273.064g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 92.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number