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4-chlorothieno[2,3-c]pyridine-2-carboxylic acid

4-chlorothieno[2,3-c]pyridine-2-carboxylic acid

CAS: 251996-86-8

Formula: C8H4ClNO2S

SMILES: OC(=O)C1=CC2=C(Cl)C=NC=C2S1

IUPAC: 4-chlorothieno[2,3-c]pyridine-2-carboxylic acid

InChI: InChI=1S/C8H4ClNO2S/c9-5-2-10-3-7-4(5)1-6(13-7)8(11)12/h1-3H,(H,11,12)

Composition: C (44.98%), H (1.89%), Cl (16.59%), N (6.56%), O (14.98%), S (15.01%)

Molar Mass: 213.64

Atom Count: 17

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 212.9651272
Formal Charge 0
FSP3 0
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey LLXSBUMTRUIFAL-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 49.09
Topological Polar Surface Area 50.19
Polarizability 19.91
Ring Count 2
Rotatable Bond Count 1

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Purity LeadTime CAS PacketSize UnitPrice
95% <5 Days 251996-86-8 $300.00-$5,040.00$300.00$2,200.00$5,040.00
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