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3-chloro-1-benzothiophene-2-carbonitrile

3-chloro-1-benzothiophene-2-carbonitrile

CAS: 28989-29-9

Formula: C9H4ClNS

SMILES: ClC1=C(SC2=CC=CC=C12)C#N

IUPAC: 3-chloro-1-benzothiophene-2-carbonitrile

InChI: InChI=1S/C9H4ClNS/c10-9-6-3-1-2-4-7(6)12-8(9)5-11/h1-4H

Composition: C (55.82%), H (2.08%), Cl (18.31%), N (7.23%), S (16.56%)

Molar Mass: 193.65

Atom Count: 16

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 192.975298
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey LUQATNNNHABPSD-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 49.71
Topological Polar Surface Area 23.79
Polarizability 20.24
Ring Count 2
Rotatable Bond Count 0

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Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 28989-29-9 $51.35-$1,078.30$51.35$63.37$86.31$225.06$359.43$1,078.30
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