| CAS Number | 85829-14-7 |
| Catalog Number | AG00GA3Y(AGN-PC-02ORYI) |
| Chemical Name | 2,4-Dichloro-5-nitroanisole |
| IUPAC Name | 1,5-dichloro-2-methoxy-4-nitrobenzene |
| InChI | InChI=1S/C7H5Cl2NO3/c1-13-7-3-6(10(11)12)4(8)2-5(7)9/h2-3H,1H3 |
| InChI Key | AWZSXENBQLPKOX-UHFFFAOYSA-N |
| MDL Number | MFCD24539380 |
| Molecular Formula | C7H5Cl2NO3 |
| Molecular Weight | 222.0255 |
| SMILES | ClC1=C(C=C(C(=C1)Cl)[N+](=O)[O-])OC |
| Synonyms | 2,4-Dichloro-5-nitroanisole,
85829-14-7,
1,5-dichloro-2-methoxy-4-nitrobenzene,
SCHEMBL10814747,
AWZSXENBQLPKOX-UHFFFAOYSA-N,
MFCD24539380,
ZINC59470807,
AS05479,
CM11719,
FCH2342928,
AS-33035,
AJ-113476,
AX8290997,
CS-0061901,
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| Complexity | 197 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 220.965g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 222.021g/mol |
| Monoisotopic Mass | 220.965g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 55A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
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Certificate of Analysis
Lot Number