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4-(4-chlorophenyl)-4H,5H,6H,7H-thieno[3,2-c]pyridine

4-(4-chlorophenyl)-4H,5H,6H,7H-thieno[3,2-c]pyridine

CAS: 213462-12-5

Formula: C13H12ClNS

SMILES: ClC1=CC=C(C=C1)C1NCCC2=C1C=CS2

IUPAC: 4-(4-chlorophenyl)-4H,5H,6H,7H-thieno[3,2-c]pyridine

InChI: InChI=1/C13H12ClNS/c14-10-3-1-9(2-4-10)13-11-6-8-16-12(11)5-7-15-13/h1-4,6,8,13,15H,5,7H2

Composition: C (62.52%), H (4.84%), Cl (14.19%), N (5.61%), S (12.84%)

Molar Mass: 249.76

Atom Count: 28

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 249.0378983
Formal Charge 0
FSP3 0.23
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 1
InChIKey CSDQQAQKBAQLLE-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 68.7
Topological Polar Surface Area 12.03
Polarizability 26.66
Ring Count 3
Rotatable Bond Count 1

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Key Organics Ltd
Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 213462-12-5 $51.35-$86.31$51.35$63.37$86.31
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