| CAS Number | 832113-93-6 |
| Catalog Number | AG00G38Z(AGN-PC-0WCD1U) |
| Chemical Name | 5-tert-butylthiophene-2-carbonyl chloride |
| IUPAC Name | 5-tert-butylthiophene-2-carbonyl chloride |
| InChI | InChI=1S/C9H11ClOS/c1-9(2,3)7-5-4-6(12-7)8(10)11/h4-5H,1-3H3 |
| InChI Key | RVDLHGSZWAELAU-UHFFFAOYSA-N |
| MDL Number | MFCD05664198 |
| Molecular Formula | C9H11ClOS |
| Molecular Weight | 202.7010 |
| SMILES | CC(C1SC(C(Cl)=O)=CC=1)(C)C |
| Synonyms | 5-tert-butylthiophene-2-carbonyl chloride,
832113-93-6,
5-tert-Butyl-thiophene-2-carbonyl chloride,
5-(tert-butyl)thiophene-2-carbonyl chloride,
AC1MBVNK,
PubChem22576,
SCHEMBL3055322,
CTK4G2938,
KS-00001ADU,
ZINC2548207,
SBB093023,
AKOS030229285,
5-tert-butyl-2-thiophenecarbonyl chloride,
A819813,
5-tert-Butyl-thiophene-2-carbonyl chloride, AldrichCPR,
100620-53-9,
ZINC02548207,
CID2757346,
5-tert-butylthiophene-2-carboxylic acid,
29212-25-7,
|
| Complexity | 186 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 202.022g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 202.696g/mol |
| Monoisotopic Mass | 202.022g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 45.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number