| CAS Number | 1095990-10-5 |
| Catalog Number | AG01B2RB |
| Chemical Name | 6-chloro-5-nitropyridine-3-carbaldehyde |
| IUPAC Name | 6-chloro-5-nitropyridine-3-carbaldehyde |
| InChI | InChI=1S/C6H3ClN2O3/c7-6-5(9(11)12)1-4(3-10)2-8-6/h1-3H |
| InChI Key | HCPSAKMGYHWRSW-UHFFFAOYSA-N |
| MDL Number | MFCD12547260 |
| Molecular Formula | C6H3ClN2O3 |
| Molecular Weight | 186.5526 |
| SMILES | [O-][N+](C1=C(Cl)N=CC(C=O)=C1)=O |
| Synonyms | 6-chloro-5-nitropyridine-3-carbaldehyde,
1095990-10-5,
AC1Q1XAT,
SCHEMBL4175079,
ZINC71788814,
6-CHLORO-5-NITRONICOTINALDEHYDE,
AB65642,
6-Chloro-5-nitronicotinaldehyde, AldrichCPR,
|
| Complexity | 194 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 185.983g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 186.551g/mol |
| Monoisotopic Mass | 185.983g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 75.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
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