| CAS Number | 878218-13-4 |
| Catalog Number | AG00IESG(AGN-PC-0WO4WA) |
| Chemical Name | 1-(2-Chlorobenzyl)-1H-pyrazole-4-carbaldehyde |
| IUPAC Name | 1-[(2-chlorophenyl)methyl]pyrazole-4-carbaldehyde |
| InChI | InChI=1S/C11H9ClN2O/c12-11-4-2-1-3-10(11)7-14-6-9(8-15)5-13-14/h1-6,8H,7H2 |
| InChI Key | QYTVCQUUYIWDPN-UHFFFAOYSA-N |
| MDL Number | MFCD08239618 |
| Molecular Formula | C11H9ClN2O |
| Molecular Weight | 220.6550 |
| SMILES | ClC1=C(CN2N=CC(C=O)=C2)C=CC=C1 |
| Synonyms | 1-(2-chlorobenzyl)-1H-pyrazole-4-carbaldehyde,
878218-13-4,
1-[(2-Chlorophenyl)methyl]-1H-pyrazole-4-carbaldehyde,
AC1PMHI7,
AC1Q3HQX,
CTK7I0469,
ZINC8037201,
MFCD08239618,
AKOS009090074,
MCULE-5927992645,
EN300-24129,
1-[(2-chlorophenyl)methyl]pyrazole-4-carbaldehyde,
1-(2-Chlorobenzyl)-1H-pyrazole-4-carbaldehyde, AldrichCPR,
ZINC08037201,
CID9167320,
1H-Pyrazole-4-carboxaldehyde, 1-[(2-chlorophenyl)methyl],
|
| Complexity | 225 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 220.04g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 220.656g/mol |
| Monoisotopic Mass | 220.04g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 34.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number