| CAS Number | 120842-55-9 |
| Catalog Number | AG00756C(AGN-PC-00NW1O) |
| Chemical Name | 1-(2-Chloroethyl)-5-methyl-1H-pyrazole-4-carbaldehyde |
| IUPAC Name | 1-(2-chloroethyl)-5-methylpyrazole-4-carbaldehyde |
| InChI | InChI=1S/C7H9ClN2O/c1-6-7(5-11)4-9-10(6)3-2-8/h4-5H,2-3H2,1H3 |
| InChI Key | QPXDCNHFMCCQOT-UHFFFAOYSA-N |
| MDL Number | MFCD02855986 |
| Molecular Formula | C7H9ClN2O |
| Molecular Weight | 172.6122 |
| SMILES | N1=CC(=C(C)N1CCCl)C=O |
| Synonyms | 120842-55-9,
1-(2-CHLOROETHYL)-5-METHYL-1H-PYRAZOLE-4-CARBALDEHYDE,
1H-Pyrazole-4-carboxaldehyde, 1-(2-chloroethyl)-5-methyl-,
ACMC-20mp5t,
CTK0C3696,
DTXSID50548821,
ZX-CM002724,
FCH835775,
MFCD02855986,
ZINC19088518,
AKOS006281420,
AJ-70999,
1-(2-chloroethyl)-5-methyl-4-formylpyrazole,
W-9806,
4004223-25G,
4004223-50G,
4004223-100G,
1-(2-Chloroethyl)-5-methylpyrazole-4-carbaldehyde,
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| Complexity | 142 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 172.04g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 172.612g/mol |
| Monoisotopic Mass | 172.04g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 34.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number