| CAS Number | 1198475-35-2 |
| Catalog Number | AG00HF5L(AGN-PC-0WB0TY) |
| Chemical Name | 2-Chloro-6-cyclopropylnicotinonitrile |
| IUPAC Name | 2-chloro-6-cyclopropylpyridine-3-carbonitrile |
| InChI | InChI=1S/C9H7ClN2/c10-9-7(5-11)3-4-8(12-9)6-1-2-6/h3-4,6H,1-2H2 |
| InChI Key | POXUDNZBBBNHSY-UHFFFAOYSA-N |
| MDL Number | MFCD13193091 |
| Molecular Formula | C9H7ClN2 |
| Molecular Weight | 178.6183 |
| SMILES | N#CC1=C(Cl)N=C(C2CC2)C=C1 |
| Synonyms | 2-chloro-6-cyclopropylnicotinonitrile,
1198475-35-2,
2-chloro-6-cyclopropylpyridine-3-carbonitrile,
chlorocyclopropylnicotinonitrile,
SCHEMBL16794988,
CTK7C8259,
MFCD13193091,
SBB089487,
ZINC40564713,
AKOS005073596,
MC-0779,
MCULE-9246144043,
RP10818,
SB21461,
KS-000027O3,
AJ-103516,
TR-065668,
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| Complexity | 216 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 178.03g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 178.619g/mol |
| Monoisotopic Mass | 178.03g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 36.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number