| CAS Number | 565171-05-3 |
| Catalog Number | AG019HZB |
| Chemical Name | 1-[(2-chlorophenyl)methyl]-3-methyl-1H-thieno[2,3-c]pyrazole-5-carboxylic acid |
| IUPAC Name | 1-[(2-chlorophenyl)methyl]-3-methylthieno[2,3-c]pyrazole-5-carboxylic acid |
| InChI | InChI=1S/C14H11ClN2O2S/c1-8-10-6-12(14(18)19)20-13(10)17(16-8)7-9-4-2-3-5-11(9)15/h2-6H,7H2,1H3,(H,18,19) |
| InChI Key | ZSGWVFWZMFVAGE-UHFFFAOYSA-N |
| MDL Number | MFCD03980963 |
| Molecular Formula | C14H11ClN2O2S |
| Molecular Weight | 306.7673 |
| SMILES | CC1C2=C(SC(C(O)=O)=C2)N(CC2=C(Cl)C=CC=C2)N=1 |
| Synonyms | 1-[(2-chlorophenyl)methyl]-3-methyl-1H-thieno[2,3-c]pyrazole-5-carboxylic acid,
565171-05-3,
1-(2-Chloro-benzyl)-3-methyl-1H-thieno[2,3-c]pyrazole-5-carboxylic acid,
AC1Q2PUX,
AC1M785R,
CTK6H3297,
ZINC3321828,
AKOS001054856,
MCULE-3394493662,
NE37488,
EN300-05173,
AB00718378-01,
SR-01000042683,
SR-01000042683-1,
1-[(2-chlorophenyl)methyl]-3-methylthieno[2,3-c]pyrazole-5-carboxylic acid,
CID2437304,
CID 2437304,
|
| Complexity | 384 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 306.023g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 306.764g/mol |
| Monoisotopic Mass | 306.023g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 83.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number