| CAS Number | 97516-11-5 |
| Catalog Number | AG0168XR(AGN-PC-082NJP) |
| Chemical Name | 3-(1-Chloroethyl)pyridine hydrochloride |
| IUPAC Name | 3-(1-chloroethyl)pyridine;hydrochloride |
| InChI | InChI=1S/C7H8ClN.ClH/c1-6(8)7-3-2-4-9-5-7;/h2-6H,1H3;1H |
| InChI Key | LOXFGOFMNUTNME-UHFFFAOYSA-N |
| MDL Number | MFCD16547538 |
| Molecular Formula | C7H9Cl2N |
| Molecular Weight | 178.0591 |
| SMILES | Cl.ClC(C)C=1C=NC=CC1 |
| Synonyms | 3-(1-chloroethyl)pyridine hydrochloride,
97516-11-5,
3-(1-chloro-ethyl)-pyridine; hydrochloride,
AC1Q395S,
SCHEMBL20378295,
MFCD16547538,
AKOS022902482,
NE15981,
CS-0046962,
EN300-62185,
F8888-7956,
3-(1-chloro-ethyl)-pyridine hydrochloride,
38835-88-0,
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| Complexity | 85 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 177.011g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 178.056g/mol |
| Monoisotopic Mass | 177.011g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 12.9A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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