| CAS Number | 859940-64-0 |
| Catalog Number | AG004Q2R(AGN-PC-0WCCRC) |
| Chemical Name | 1,3-Dichloro-5-(3-nitrophenyl)benzene |
| IUPAC Name | 1,3-dichloro-5-(3-nitrophenyl)benzene |
| InChI | InChI=1S/C12H7Cl2NO2/c13-10-4-9(5-11(14)7-10)8-2-1-3-12(6-8)15(16)17/h1-7H |
| InChI Key | XTBNXSKCTLZMHG-UHFFFAOYSA-N |
| MDL Number | MFCD21332977 |
| Molecular Formula | C12H7Cl2NO2 |
| Molecular Weight | 268.0955 |
| SMILES | c1(cc(cc(c1)c1cc(ccc1)[N+](=O)[O-])Cl)Cl |
| Synonyms | 859940-64-0,
3,5-Dichloro-3'-nitro-1,1'-biphenyl,
1,3-Dichloro-5-(3-nitrophenyl)benzene,
ACMC-209q81,
CTK8B2471,
DTXSID20709402,
ANW-38255,
MFCD21332977,
ZINC82046445,
AKOS016001064,
AJ-124142,
AX8239779,
TC-127000,
ST24022476,
Z0906,
B-8540,
C12H7Cl2NO2,
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| Complexity | 272 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 266.985g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 268.093g/mol |
| Monoisotopic Mass | 266.985g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 45.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number