| CAS Number | 59178-12-0 |
| Catalog Number | AG00ELOD(AGN-PC-0KKHOI) |
| Chemical Name | 3,5-Dichloro-2-nitrobenzaldehyde |
| IUPAC Name | 3,5-dichloro-2-nitrobenzaldehyde |
| InChI | InChI=1S/C7H3Cl2NO3/c8-5-1-4(3-11)7(10(12)13)6(9)2-5/h1-3H |
| InChI Key | YWLHPPPBSVQLMV-UHFFFAOYSA-N |
| MDL Number | MFCD01110976 |
| Molecular Formula | C7H3Cl2NO3 |
| Molecular Weight | 220.0096 |
| SMILES | O=Cc1cc(Cl)cc(c1[N+](=O)[O-])Cl |
| Synonyms | 3,5-dichloro-2-nitrobenzaldehyde,
59178-12-0,
AC1MBH0S,
SCHEMBL203116,
CTK8J4998,
2-Nitro-3,5-dichlorobenzaldehyde,
YWLHPPPBSVQLMV-UHFFFAOYSA-N,
ZINC3845780,
MFCD01110976,
AKOS004905910,
AS-19633,
CS-0060284,
ZINC03845780,
CID2750494,
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| Complexity | 218 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 218.949g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 220.005g/mol |
| Monoisotopic Mass | 218.949g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 62.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number