| CAS Number | 400877-26-1 |
| Catalog Number | AG00C8X2(AGN-PC-04PLP6) |
| Chemical Name | 1-(3-Chlorophenyl)pyrazole-4-carbaldehyde |
| IUPAC Name | 1-(3-chlorophenyl)pyrazole-4-carbaldehyde |
| InChI | InChI=1S/C10H7ClN2O/c11-9-2-1-3-10(4-9)13-6-8(7-14)5-12-13/h1-7H |
| InChI Key | WZXGTPGACUQZRZ-UHFFFAOYSA-N |
| MDL Number | MFCD09054744 |
| Molecular Formula | C10H7ClN2O |
| Molecular Weight | 206.6284 |
| SMILES | ClC1=CC=CC(=C1)N1C=C(C=O)C=N1 |
| Synonyms | 1-(3-chlorophenyl)-1H-pyrazole-4-carbaldehyde,
400877-26-1,
SCHEMBL5483638,
CTK4I2445,
DTXSID20640861,
WZXGTPGACUQZRZ-UHFFFAOYSA-N,
5320AB,
ANW-64804,
MFCD09054744,
ZINC19088459,
AKOS000184319,
AJ-70983,
1-(3-Chlorophenyl)pyrazole-4-carbaldehyde,
TC-153549,
AM20040399,
ST24037214,
Y-4980,
1-(3-Chlorophenyl)-1H-pyrazole-4-carbaldehyde, AldrichCPR,
C10H7ClN2O,
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| Complexity | 212 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 206.025g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 206.629g/mol |
| Monoisotopic Mass | 206.025g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 34.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number