| CAS Number | 952-04-5 |
| Catalog Number | AG00IITN(AGN-PC-0WD0W2) |
| Chemical Name | 1-Chloro-3-(3-nitrophenyl)benzene |
| IUPAC Name | 1-(3-chlorophenyl)-3-nitrobenzene |
| InChI | InChI=1S/C12H8ClNO2/c13-11-5-1-3-9(7-11)10-4-2-6-12(8-10)14(15)16/h1-8H |
| InChI Key | SPTYCUZTHDNCNZ-UHFFFAOYSA-N |
| MDL Number | MFCD21332976 |
| Molecular Formula | C12H8ClNO2 |
| Molecular Weight | 233.6504 |
| SMILES | Clc1cccc(c1)c1cccc(c1)[N+](=O)[O-] |
| Synonyms | 3-Chloro-3'-nitro-1,1'-biphenyl,
952-04-5,
1-Chloro-3-(3-nitrophenyl)benzene,
ACMC-209rxy,
3-chloro-3'-nitro-biphenyl,
SCHEMBL5003975,
CTK8B2750,
DTXSID60708116,
ANW-40484,
MFCD21332976,
ZINC82046444,
AJ-124141,
AX8239773,
TC-129229,
ST24022832,
V9595,
B-8539,
C12H8ClNO2,
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| Complexity | 254 |
| 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 | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 233.651g/mol |
| Monoisotopic Mass | 233.024g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 45.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number