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2-(4-tert-butylphenyl)-8-chloroquinoline-4-carboxylic acid

2-(4-tert-butylphenyl)-8-chloroquinoline-4-carboxylic acid

CAS: 862710-11-0

Formula: C20H18ClNO2

SMILES: CC(C)(C)C1=CC=C(C=C1)C1=CC(C(O)=O)=C2C=CC=C(Cl)C2=N1

IUPAC: 2-(4-tert-butylphenyl)-8-chloroquinoline-4-carboxylic acid

InChI: InChI=1S/C20H18ClNO2/c1-20(2,3)13-9-7-12(8-10-13)17-11-15(19(23)24)14-5-4-6-16(21)18(14)22-17/h4-11H,1-3H3,(H,23,24)

Composition: C (70.69%), H (5.34%), Cl (10.43%), N (4.12%), O (9.42%)

Molar Mass: 339.82

Atom Count: 42

Heavy Atom Count: 24

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 339.1026065
Formal Charge 0
FSP3 0.2
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey QUMCMNSPPSHIEV-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 95.47
Topological Polar Surface Area 50.19
Polarizability 39.44
Ring Count 3
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 862710-11-0 $101.60$101.60
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