| CAS Number | 952182-46-6 |
| Catalog Number | AG00IIU9(AGN-PC-0WAZL7) |
| Chemical Name | 4-chloro-1-benzothiophene-2-carbohydrazide |
| IUPAC Name | 4-chloro-1-benzothiophene-2-carbohydrazide |
| InChI | InChI=1S/C9H7ClN2OS/c10-6-2-1-3-7-5(6)4-8(14-7)9(13)12-11/h1-4H,11H2,(H,12,13) |
| InChI Key | RANIZGUMTFCCOC-UHFFFAOYSA-N |
| MDL Number | MFCD09817458 |
| Molecular Formula | C9H7ClN2OS |
| Molecular Weight | 226.6827 |
| SMILES | NNC(C1SC2=C(C(=CC=C2)Cl)C=1)=O |
| Synonyms | 4-Chloro-1-benzothiophene-2-carbohydrazide,
4-Chlorobenzo[b]thiophene-2-carbohydrazide,
952182-46-6,
CTK7F0935,
KS-000025EU,
MFCD09817458,
SBB097052,
ZINC12336641,
AKOS005072696,
GB-0727,
MCULE-5899425093,
RP13064,
AJ-61037,
TR-064875,
|
| Complexity | 239 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 225.997g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 226.678g/mol |
| Monoisotopic Mass | 225.997g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 83.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number