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2,4-Dichloro-[1]benzothieno[3,2-d]pyrimidine

Catalog Number
ACM160199053
CAS Number
160199-05-3
Product Name
2,4-Dichloro-[1]benzothieno[3,2-d]pyrimidine
Category
Organic Light-Emitting Diode (OLED) Materials
IUPAC Name
2,4-dichloro-[1]benzothiolo[3,2-d]pyrimidine
Molecular Weight
255.12g/mol
Molecular Formula
C10H4Cl2N2S
Canonical SMILES
C1=CC=C2C(=C1)C3=C(S2)C(=NC(=N3)Cl)Cl
InChI
InChI=1S/C10H4Cl2N2S/c11-9-8-7(13-10(12)14-9)5-3-1-2-4-6(5)15-8/h1-4H
InChI Key
BSWVSKQCYPFXJF-UHFFFAOYSA-N
Complexity
254
Covalently-Bonded Unit Count
1
Exact Mass
253.947225g/mol
Formal Charge
0
Heavy Atom Count
15
Monoisotopic Mass
253.947225g/mol
Rotatable Bond Count
0
XLogP3
4.6
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