| CAS Number | 924068-56-4 |
| Catalog Number | AG00IH4P(AGN-PC-0WQYDZ) |
| Chemical Name | 4-chloro-2-(thiophen-3-yl)quinazoline |
| IUPAC Name | 4-chloro-2-thiophen-3-ylquinazoline |
| InChI | InChI=1S/C12H7ClN2S/c13-11-9-3-1-2-4-10(9)14-12(15-11)8-5-6-16-7-8/h1-7H |
| InChI Key | NFTIZFGLNIBYCF-UHFFFAOYSA-N |
| MDL Number | MFCD08444127 |
| Molecular Formula | C12H7ClN2S |
| Molecular Weight | 246.7154 |
| SMILES | ClC1=C2C(C=CC=C2)=NC(C2=CSC=C2)=N1 |
| Synonyms | 4-chloro-2-thien-3-ylquinazoline,
4-chloro-2-(thiophen-3-yl)quinazoline,
924068-56-4,
AC1Q3HX9,
CTK6H3983,
ZINC8155944,
MFCD08444127,
AKOS000200069,
MCULE-6452118229,
NE43936,
EN300-23024,
AB00754853-01,
ZINC08155944,
CID9291133,
|
| Complexity | 251 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 246.002g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 246.712g/mol |
| Monoisotopic Mass | 246.002g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 54A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number