| CAS Number | 205744-82-7 |
| Catalog Number | AG002AB2(AGN-PC-0O7J6L) |
| Chemical Name | 2-(4-Chloro-2-nitrophenyl)malondialdehyde |
| IUPAC Name | 2-(4-chloro-2-nitrophenyl)propanedial |
| InChI | InChI=1S/C9H6ClNO4/c10-7-1-2-8(6(4-12)5-13)9(3-7)11(14)15/h1-6H |
| InChI Key | NYLPVNGQGLWFEA-UHFFFAOYSA-N |
| MDL Number | MFCD00216498 |
| Molecular Formula | C9H6ClNO4 |
| Molecular Weight | 227.6012 |
| SMILES | ClC1C=CC(C(C=O)C=O)=C(C=1)[N+](=O)[O-] |
| Synonyms | 2-(4-Chloro-2-nitrophenyl)malondialdehyde,
205744-82-7,
2-(4-chloro-2-nitrophenyl)propanedial,
2-(4-Chloro-2-nitrophenyl)malonaldehyde,
AC1MXO9C,
SCHEMBL2555900,
CTK8F0419,
DTXSID80396852,
ZX-AT009571,
6961AD,
MFCD00216498,
OR7627,
AKOS027379259,
ZINC100000514,
RTR-039943,
ACM205744827,
TR-039943,
C-5739,
C9H6ClNO4,
CID3818738,
2-(4-chloro-2-nitro-phenyl)propanedial,
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| Complexity | 257 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 226.999g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 227.6g/mol |
| Monoisotopic Mass | 226.999g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 80A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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