CAS
149549-11-1 Purity
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149549-11-1 Purity
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Specification
The molecular formula is C7H7ClOS.
The molecular weight is 174.65 g/mol.
The IUPAC name is 4-chloro-5-ethylthiophene-2-carbaldehyde.
The InChI is InChI=1S/C7H7ClOS/c1-2-7-6(8)3-5(4-9)10-7/h3-4H,2H2,1H3.
The InChIKey is WRTSHXGKSBKPID-UHFFFAOYSA-N.
The canonical SMILES is CCC1=C(C=C(S1)C=O)Cl.
The XLogP3-AA value is 2.9.
There are 0 hydrogen bond donor atoms.
There are 2 hydrogen bond acceptor atoms.
There are 2 rotatable bonds.