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3-chloro-6-ethyl-1-benzothiophene-2-carbonyl chloride

3-chloro-6-ethyl-1-benzothiophene-2-carbonyl chloride

CAS: 901555-86-0

Formula: C11H8Cl2OS

SMILES: CCC1=CC=C2C(Cl)=C(SC2=C1)C(Cl)=O

IUPAC: 3-chloro-6-ethyl-1-benzothiophene-2-carbonyl chloride

InChI: InChI=1S/C11H8Cl2OS/c1-2-6-3-4-7-8(5-6)15-10(9(7)12)11(13)14/h3-5H,2H2,1H3

Composition: C (50.98%), H (3.11%), Cl (27.36%), O (6.17%), S (12.37%)

Molar Mass: 259.14

Atom Count: 23

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 257.9672915
Formal Charge 0
FSP3 0.18
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey COIPERBZRLNKTJ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 64.74
Topological Polar Surface Area 17.07
Polarizability 25.78
Ring Count 2
Rotatable Bond Count 2

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Purity LeadTime CAS PacketSize UnitPrice
95% <6 Days 901555-86-0 $608.35-$1,823.90$608.35$673.90$1,331.70$1,823.90
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