| CAS Number | 41372-95-6 |
| Catalog Number | AG00I83E(AGN-PC-0WNH4S) |
| Chemical Name | 2-benzyl-4-chloro-2H-pyrazolo[4,3-c]pyridine |
| IUPAC Name | 2-benzyl-4-chloropyrazolo[4,3-c]pyridine |
| InChI | InChI=1S/C13H10ClN3/c14-13-11-9-17(16-12(11)6-7-15-13)8-10-4-2-1-3-5-10/h1-7,9H,8H2 |
| InChI Key | XEYWGUROMLHHCV-UHFFFAOYSA-N |
| MDL Number | MFCD29918545 |
| Molecular Formula | C13H10ClN3 |
| Molecular Weight | 243.6916 |
| SMILES | ClC1=NC=CC2=NN(CC3=CC=CC=C3)C=C12 |
| Synonyms | 2-benzyl-4-Chloro-2H-pyrazolo[4,3-c]pyridine,
41372-95-6,
SCHEMBL20155108,
MFCD29918545,
AKOS030628545,
ZINC498050950,
SB21273,
KS-000008I7,
AS-53013,
CS-0052017,
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| Complexity | 255 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 243.694g/mol |
| Monoisotopic Mass | 243.056g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 30.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
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Certificate of Analysis
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